| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 2mg |
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| 5mg |
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| 10mg |
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| 25mg |
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| Other Sizes |
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| Molecular Formula |
C58H94N10O12
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|---|---|
| Molecular Weight |
1123.4268
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| Exact Mass |
1122.705
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| Elemental Analysis |
C, 62.01; H, 8.43; N, 12.47; O, 17.09
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| CAS # |
644981-35-1
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| Related CAS # |
Val-Cit-PAB-MMAE;644981-35-1
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| PubChem CID |
88914158
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
1211.9±65.0 °C at 760 mmHg
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| Flash Point |
686.7±34.3 °C
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| Vapour Pressure |
0.0±0.3 mmHg at 25°C
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| Index of Refraction |
1.552
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| LogP |
4.8
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| Hydrogen Bond Donor Count |
8
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| Hydrogen Bond Acceptor Count |
13
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| Rotatable Bond Count |
32
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| Heavy Atom Count |
80
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| Complexity |
1980
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| Defined Atom Stereocenter Count |
12
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| SMILES |
O(C([H])([H])[H])[C@]([H])([C@]([H])(C(N([H])[C@]([H])(C([H])([H])[H])[C@]([H])(C1C([H])=C([H])C([H])=C([H])C=1[H])O[H])=O)C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])C([H])([H])N1C(C([H])([H])[C@]([H])([C@]([H])([C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])N(C([H])([H])[H])C([C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])N([H])C([C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])N(C(=O)OC([H])([H])C1C([H])=C([H])C(=C([H])C=1[H])N([H])C([C@]([H])(C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=O)N([H])C([C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])N([H])[H])=O)=O)C([H])([H])[H])=O)=O)OC([H])([H])[H])=O
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| InChi Key |
WZEAGSMYTVSXQA-XZZQEHRXSA-N
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| InChi Code |
InChI=1S/C58H94N10O12 c1-15-36(8)49(44(78-13)31-45(69)68-30-20-24-43(68)51(79-14)37(9)52(71)62-38(10)50(70)40-21-17-16-18-22-40)66(11)56(75)47(34(4)5)65-55(74)48(35(6)7)67(12)58(77)80-32-39-25-27-41(28-26-39)63-53(72)42(23-19-29-61-57(60)76)64-54(73)46(59)33(2)3/h16-18,21-22,25-28,33-38,42-44,46-51,70H,15,19-20,23-24,29-32,59H2,1-14H3,(H,62,71)(H,63,72)(H,64,73)(H,65,74)(H3,60,61,76)/t36-,37+,38+,42-,43-,44+,46-,47-,48-,49-,50+,51+/m0/s1
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| Chemical Name |
[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
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| Synonyms |
Val-Cit-PAB-MMAE; MMAE ADC conjugate; N-PM-0008; N-PM 0008; N-PM0008; NPM-0008; NPM 0008; NPM0008;
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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 : ≥ 110 mg/mL (~97.91 mM)
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|---|---|
| Solubility (In Vivo) |
10% DMSO+ 90% (20% SBE-β-CD in saline): ≥ 5.5 mg/mL (4.90 mM) (Please use freshly prepared in vivo formulations for optimal results.)
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| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 0.8901 mL | 4.4507 mL | 8.9013 mL | |
| 5 mM | 0.1780 mL | 0.8901 mL | 1.7803 mL | |
| 10 mM | 0.0890 mL | 0.4451 mL | 0.8901 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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