Maytansinoid dM4 structure, CAS 799840-96-3

Maytansinoid dM4

CAS Number799840-96-3

SynonymsMFCD28144633

Molecular FormulaC39H56ClN3O10S

Molecular Weight794.394

Purity

Density1.3±0.1 g/cm3

Boiling Point940.2±65.0 °C at 760 mmHg

Melting Point

Flash Point

Appearance

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Symbol

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Cat. No.: 2A-3185268 Purity:
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Quality Control of [ 799840-96-3 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number799840-96-3
Catalog No.2A-3185268
Chinese NameN2'-去乙酰基-N2'-(4-巯基-4-甲基-1-氧代戊基)-6-甲基美登素
SynonymsMFCD28144633
Molecular FormulaC39H56ClN3O10S
Molecular Weight794.394
Density1.3±0.1 g/cm3
Boiling Point940.2±65.0 °C at 760 mmHg
ApplicationMaytansinoid DM4 is a potent cytotoxic thiol-containing maytansine derivative that can be used as the cytotoxic moiety of ADCs.
PubChem ID349325994
SMILESCOc1cc2cc(c1Cl)N(C)C(=O)CC(OC(=O)C(C)N(C)C(=O)CCC(C)(C)S)C1(C)OC1C(C)(C)C1CC(O)(NC(=O)O1)C(OC)C=CC=C(C)C2
InChIInChI=1S/C39H56ClN3O10S/c1-22-13-12-14-27(50-11)39(48)21-29(52-35(47)41-39)37(5,6)34-38(7,53-34)28(51-33(46)23(2)42(8)30(44)15-16-36(3,4)54)20-31(45)43(9)25-18-24(17-22)19-26(49-10)32(25)40/h12-14,18-19,23,27-29,34,48,54H,15-17,20-21H2,1-11H3,(H,41,47)/b14-12-,22-13-/t23-,27+,28-,29-,34-,38-,39-/m0/s1
InChI KeySVVGCFZPFZGWRG-QEGJILGISA-N
Transport InfoProduct name: N2'-Deacetyl-N2'-(4-mercapto-4-methyl-1-oxopentyl)-6-methylmaytansine
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