| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg | |||
| 100mg | |||
| 250mg | |||
| Other Sizes |
Purity: ≥98%
| Targets |
Super-TDU targets the YAP-TEADs protein-protein interaction, which is critical for the transcriptional activity of the Hippo signaling pathway. By mimicking VGLL4, Super-TDU competitively binds to TEADs, thereby inhibiting YAP-mediated transcription of target genes. The YAP/VGLL4 ratio is considered an important prognostic marker for personalized treatment.
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| ln Vitro |
Super-TDU inhibits the expression of CTGF, CYR61, and CDX2, the target genes of YAP-TEADs. GC cell lines MGC-803, BGC-823, and HGC27 exhibit reduced colony formation and cell survival when exposed to Super-TDU [1].
In vitro, Super-TDU inhibits cell viability and colony formation of gastric cancer cell lines MGC-803, BGC-823, and HGC27, but not MKN-45 as predicted. It downregulates expression of YAP-TEADs target genes CTGF, CYR61, and CDX2. ChIP assays show that Super-TDU dose-dependently reduces the amount of CTGF and CDX2 promoter cDNA ChIPed by YAP antibody. |
| ln Vivo |
Super-TDU, administered intravenously once a day at doses of 50 μg/kg or 500 μg/kg, greatly lowers the size, weight, and YAP target genes of mice tumors [1]. The CLs for Super-TDU (iv; 250 μg/kg and 500 μg/kg) mice are 7.41 mL/min/kg and 7.72 mL/min/kg, respectively; Cmax values are 6.12 ng/mL and 13.3 ng/mL. The t1/2α for the mice is 0.78 hours and 0.82 hours, respectively[1].
In vivo, Super-TDU administered intravenously once daily at doses of 50 μg/kg or 500 μg/kg greatly lowers the size, weight, and YAP target genes of mouse tumors. It reduces endogenous interaction between YAP and TEADs as shown by co-immunoprecipitation experiments. The compound shows specific antitumor activity toward YAP-driven human cancers. |
| Enzyme Assay |
YAP-TEADs binding inhibition is assessed using cell-free assays such as ELISA or AlphaScreen with recombinant TEADs protein and labeled YAP-derived peptide. Alternatively, chromatin immunoprecipitation (ChIP) assays can be used to evaluate the compound's effect on YAP binding to target gene promoters in vitro.
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| Cell Assay |
Cell-based assays use gastric cancer cell lines MGC-803, BGC-823, and HGC27. Cells are treated with Super-TDU, and cell viability and colony formation are assessed. Expression of YAP-TEADs target genes CTGF, CYR61, and CDX2 is measured by qPCR. ChIP assays confirm reduced YAP binding to target promoters.
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| Animal Protocol |
Animal/Disease Models: BALB/cA nu/nu (nude) mice[1]
Doses: 50 μg/kg or 500 μg/kg Route of Administration: intravenous (iv) Injection; per day Experimental Results: diminished the sizes, weights of tumors, and YAP target genes in a dose-dependent manner. Animal/Disease Models: BALB/cA nu/nu (nude) mice[1] Doses: 250 μg/kg or 500 μg/kg (pharmacokinetic/PK Study) Route of Administration: intravenous (iv) Injection Experimental Results: The t1/2α is 0.78 hrs (hours) and 0.82 hrs (hours); the Cmax is 6.12 ng/mL and 13.3 ng/mL; the CL is7.41 ml/min/kg and 7.72 ml/min/kg for 250 μg/kg and 500 μg/kg in mice, respectively. In vivo studies are conducted in BALB/cA nu/nu (nude) mice bearing gastric cancer xenografts. Super-TDU is administered intravenously at 50 μg/kg or 500 μg/kg once daily. Tumor size, weight, and YAP target gene expression are measured. Pharmacokinetic studies are performed at 250 μg/kg or 500 μg/kg. |
| ADME/Pharmacokinetics |
Super-TDU has the molecular formula C₂₃₇H₃₆₉N₆₅O₇₀S and a molecular weight of 5280.92. In mice, following intravenous administration at 250 μg/kg and 500 μg/kg, Cmax values are 6.12 ng/mL and 13.3 ng/mL, with t₁/₂α of 0.78 hours and 0.82 hours, respectively. CL values are 7.41 mL/min/kg and 7.72 mL/min/kg, respectively.
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| Toxicity/Toxicokinetics |
No specific toxicity data are detailed in the available references. However, the compound's specificity for YAP-driven cancers and its peptide-based nature suggest a targeted mechanism with potentially manageable toxicity. Mutant Super-TDUs that fail to bind TEADs do not inhibit cell proliferation, confirming target specificity.
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| References | |
| Additional Infomation |
Super-TDU is a research compound not yet approved for clinical use. It is a specific YAP antagonist that targets the YAP-TEADs interaction. It has shown therapeutic potential for treating gastric cancer and other YAP-activated tumors. Unlike conventional drugs, its antitumor activity tends to be specific toward tumors with an elevated ratio of YAP to VGLL4.
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| Molecular Formula |
C237H370N66O69S
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| Molecular Weight |
5279.9396
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| Exact Mass |
5278.726
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| CAS # |
1599441-71-0
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| Related CAS # |
Super-TDU TFA
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| PubChem CID |
155886330
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| Appearance |
White to off-white solid powder
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| LogP |
-25.5
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| Hydrogen Bond Donor Count |
71
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| Hydrogen Bond Acceptor Count |
81
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| Rotatable Bond Count |
173
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| Heavy Atom Count |
373
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| Complexity |
13400
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(C)CCC(C(NC(C(NC(C(NC(CCCNC(=N)N)C(NC(CCCCN)C(NC(CC(C)C)C(N1CCCC1C(NC(CC(=O)O)C(NC(CO)C(NC(CC1C=CC=CC=1)C(NC(CC1C=CC=CC=1)C(NC(CCCCN)C(N1CCCC1C(N1CCCC1C(NC(C(N)=O)CCC(=O)O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CC(C)C)=O)CCCNC(=N)N)=O)NC(C1CCCN1C(C(C(C)C)NC(C(C(C)O)NNC(CCC(N)=O)C(C(C1CCCN1C(C(C(C)C)NC(C(CC(N)=O)NC(C(C)NC(C(C(C)O)NC(C(CCCCN)NC(C1CCCN1C(C(CC(N)=O)NC(CNC(C(CO)NC(CNC(CNC(C(C(C)CC)NC(C(CCC(N)=O)NC(C(CC(C)C)NC(C(CC1=CNC2=CC=CC=C12)NC(C(C(C)O)NC(C(CC(=O)O)NC(CNC(C(CC(C)C)NC(C(CO)NC(C(CCCCN)NC(C(C)NC(C(CC1C=CC=CC=1)NC(C(CC1=CN=CN1)NC(C(CC(=O)O)NC(C(CC(=O)O)NC(C(C(C)C)NNC(C=O)CO)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O
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| InChi Key |
VNAMPXYTTUOEFP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C237H370N66O69S/c1-23-125(16)189(291-206(343)146(72-75-174(243)313)270-209(346)151(93-120(6)7)277-212(349)155(98-134-106-254-138-58-34-33-57-137(134)138)284-228(365)191(129(20)310)293-218(355)158(102-182(322)323)262-179(318)110-256-198(335)149(91-118(2)3)275-219(356)165(115-307)287-203(340)141(59-35-39-78-238)266-196(333)126(17)260-207(344)152(95-131-51-27-24-28-52-131)278-213(350)156(99-135-107-251-117-259-135)281-214(351)159(103-183(324)325)282-215(352)161(105-185(328)329)285-226(363)186(122(10)11)296-294-136(112-304)113-305)225(362)258-108-177(316)255-109-178(317)264-164(114-306)199(336)257-111-180(319)263-163(101-176(245)315)232(369)300-86-46-66-168(300)222(359)271-143(61-37-41-80-240)205(342)292-190(128(19)309)227(364)261-127(18)197(334)274-157(100-175(244)314)217(354)289-187(123(12)13)234(371)298-84-45-65-167(298)194(331)193(330)139(71-74-173(242)312)295-297-192(130(21)311)229(366)290-188(124(14)15)235(372)302-88-49-69-171(302)223(360)272-147(77-90-373-22)204(341)268-145(64-44-83-253-237(249)250)201(338)276-150(92-119(4)5)208(345)269-144(63-43-82-252-236(247)248)200(337)267-142(60-36-40-79-239)202(339)286-162(94-121(8)9)231(368)299-85-47-67-169(299)224(361)283-160(104-184(326)327)216(353)288-166(116-308)220(357)280-154(97-133-55-31-26-32-56-133)211(348)279-153(96-132-53-29-25-30-54-132)210(347)273-148(62-38-42-81-241)230(367)303-89-50-70-172(303)233(370)301-87-48-68-170(301)221(358)265-140(195(246)332)73-76-181(320)321/h24-34,51-58,106-107,112,117-130,136,139-172,186-192,254,294-297,305-311H,23,35-50,59-105,108-111,113-116,238-241H2,1-22H3,(H2,242,312)(H2,243,313)(H2,244,314)(H2,245,315)(H2,246,332)(H,251,259)(H,255,316)(H,256,335)(H,257,336)(H,258,362)(H,260,344)(H,261,364)(H,262,318)(H,263,319)(H,264,317)(H,265,358)(H,266,333)(H,267,337)(H,268,341)(H,269,345)(H,270,346)(H,271,359)(H,272,360)(H,273,347)(H,274,334)(H,275,356)(H,276,338)(H,277,349)(H,278,350)(H,279,348)(H,280,357)(H,281,351)(H,282,352)(H,283,361)(H,284,365)(H,285,363)(H,286,339)(H,287,340)(H,288,353)(H,289,354)(H,290,366)(H,291,343)(H,292,342)(H,293,355)(H,320,321)(H,322,323)(H,324,325)(H,326,327)(H,328,329)(H4,247,248,252)(H4,249,250,253)
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| Chemical Name |
5-amino-4-[[1-[1-[6-amino-2-[[2-[[2-[[2-[[2-[[1-[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[2-[6-amino-1-[1-[2-[[4-amino-2-[2-[[2-[[6-amino-2-[[1-[4-amino-2-[[2-[[2-[[2-[[2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[2-[[2-[[2-[[3-carboxy-2-[[3-carboxy-2-[[2-[2-(1-hydroxy-3-oxopropan-2-yl)hydrazinyl]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]propanoylamino]-4-oxobutanoyl]amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1,2,6-trioxohexan-3-yl]hydrazinyl]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
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| Synonyms |
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
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| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: 25 mg/mL (4.73 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.
(Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 0.1894 mL | 0.9470 mL | 1.8940 mL | |
| 5 mM | 0.0379 mL | 0.1894 mL | 0.3788 mL | |
| 10 mM | 0.0189 mL | 0.0947 mL | 0.1894 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Downregulation ofVGLL4Was Associated with Upregulation of YAP Target Genes and GC Prognosis.Cancer Cell.2014 Feb 10;25(2):166-80. |
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VGLL4 Inhibits Gastric Tumor Cell Growth through Inhibiting YAP-Induced TEAD4 Transactivation.Cancer Cell.2014 Feb 10;25(2):166-80. |
Crystal Structure of VGLL4-TEAD4 Complex.Cancer Cell.2014 Feb 10;25(2):166-80. |
The Tandem TDU Domains of VGLL4 Are Sufficient to Inhibit YAP Activity.Cancer Cell.2014 Feb 10;25(2):166-80. |
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TheSuper-TDUPotently Inhibits Gastric Tumor Growth.Cancer Cell.2014 Feb 10;25(2):166-80. |
TheSuper-TDUInhibits Human Primary GC Growth and GC Tumorigenesis in theH.pylori-Infected Mouse Model.Cancer Cell.2014 Feb 10;25(2):166-80. |
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