BGC > Produktsuche > Val-Cit-PAB-MMAE | 644981-35-1

Molecular Formula: C58H94N10O12
Molecular Weight: 1123.42676

Purity: 97%

Description:
Val-Cit-PAB-MMAE, a tubulin polymerase inhibitor, is a drug-linker conjugate for ADC. It contains an ADC linker (peptide Val-Cit-PAB) and a potent tubulin inhibitor MMAE.

• Molecular Weight:1123.43
• Boiling Point:1211.9±65.0 °C at 760 mmHg
• Purity:≥98%

Molecular Formula:
C58H94N10O12
Canonical SMILES:
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](c2ccccc2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCc3ccc(cc3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)N
InChI:
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
InChIKey:
WZEAGSMYTVSXQA-XZZQEHRXSA-N
Solubility:
Soluble in DCM, DMSO
Appearance:
Soild powder
Storage: Store at -20°C
Synonyms:
L-Valyl-N-{4-[(5S,8S,11S,12R)-11-[(2S)-2-butanyl]-12-(2-{(2S)-2-[(1R,2R)-3-{[(1S,2R)-1-hydroxy-1-phenyl-2-propanyl]amino}-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl}-2-oxoethyl)-5,8-diisopropyl-4,10-dimethyl-3,6,9-trioxo-2,13-dioxa-4,7,10-triazatetradec-1-yl]phenyl}-N5-carbamoyl-L-ornithinamide