| Size | Price | |
|---|---|---|
| 100mg | ||
| Other Sizes |
Purity: ≥98%
SJG-136 (NSC694501), a novel sequence-selective pyrrolobenzodiazepine (PBD) dimer, is a novel and potent DNA cross-linking/intercalating agent with an XL50 of 45 nM for pBR322 DNA; SJG-136 has potent anticancer activity and can be potentially used for the treatment of ovarian cancer and leukemia.
| ln Vitro |
DNA cross-linker SJG-136 (dimer 5) has an XL50 (reagent concentration needed for 50% cross-linking of pBR322 DNA) of 45 nM. A2780 (IC50, 22.5 pM), A2780cisR (IC50, 24 pM), CH1 (IC50, 0.12 nM), CH1cisR (IC50, 0.6 nM), and SKOV-3 (IC50, 9.1 nM) are among the ovarian cell lines that are cytotoxic to SJG-136 [1]. A set of canine cancer cells is likewise less viable when exposed to SJG-136 (SG2000); GI50 values range from 0.33 to >100 nM after an hour of treatment and from <0.03 to 17.33 nM when exposed continuously [2].
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|---|---|
| ln Vivo |
SJG-136-induced H2AX phosphorylation shows good correspondence but is less sensitive than focal measurements. SJG-136 at 0.30 mg/kg had a more potent antitumor effect on CMeC-1 tumors than SJG-136 at 0.15 mg/kg, either as a single dose or once weekly, administered by intravenous injection, for three weeks [2].
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| References |
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| Additional Infomation |
SJG-136 has been used in trials studying the treatment of Recurrent Fallopian Tube Cancer, Secondary Acute Myeloid Leukemia, de Novo Myelodysplastic Syndromes, Recurrent Ovarian Epithelial Cancer, and Secondary Myelodysplastic Syndromes, among others.
DNA Minor Groove Binding Agent SG2000 is a sequence-selective pyrrolobenzodiazepine (PBD) dimer with potential antineoplastic activity. Following intravenous administration, DNA minor groove binding agent SG2000 preferentially and covalently binds to purine-GATC-pyrimidine sequences, with the imine/carbinolamine moieties of SG2000 binding to the N2 positions of guanines on opposite strands of DNA. This induces interstrand cross-links and inhibits both DNA replication and gene transcription, which lead to the inhibition of cell growth. With a preference for binding to purine-GATC-pyrimidine sequences, SG2000 adducts do not appear to be susceptible to p53-mediated DNA excision repair. |
| Molecular Formula |
C31H32N4O6
|
|---|---|
| Molecular Weight |
556.6090
|
| Exact Mass |
556.232
|
| CAS # |
232931-57-6
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| PubChem CID |
393111
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| Appearance |
Off-white to yellow solid powder
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| Density |
1.36g/cm3
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| Boiling Point |
805.5ºC at 760 mmHg
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| Flash Point |
441ºC
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| Vapour Pressure |
5.52E-26mmHg at 25°C
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| Index of Refraction |
1.66
|
| LogP |
3.271
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
41
|
| Complexity |
1020
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
COC1=C(C=C2C(=C1)C(=O)N3CC(=C)C[C@H]3C=N2)OCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CC(=C)CN6C5=O)OC
|
| InChi Key |
RWZVMMQNDHPRQD-SFTDATJTSA-N
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| InChi Code |
InChI=1S/C31H32N4O6/c1-18-8-20-14-32-24-12-28(26(38-3)10-22(24)30(36)34(20)16-18)40-6-5-7-41-29-13-25-23(11-27(29)39-4)31(37)35-17-19(2)9-21(35)15-33-25/h10-15,20-21H,1-2,5-9,16-17H2,3-4H3/t20-,21-/m0/s1
|
| Chemical Name |
(6aS)-3-[3-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-8-methylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
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| Synonyms |
SJG-136; NSC-694501; SJG136; NSC694501; SJG 136; NSC 694501;
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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 |
| 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) |
DMSO : ~33.33 mg/mL (~59.88 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.49 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 2: 2.08 mg/mL (3.74 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (3.74 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7966 mL | 8.9830 mL | 17.9659 mL | |
| 5 mM | 0.3593 mL | 1.7966 mL | 3.5932 mL | |
| 10 mM | 0.1797 mL | 0.8983 mL | 1.7966 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.
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