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DM4

DM4 structure

CAS No:
796073-69-3
Formula:
C38H54ClN3O10S
Chemical Name:
DM4
Synonyms:
N2'-Deacetyl-N2'-(4-mercapto-4-methyl-1-oxopentyl)-maytansine;Maytansine, N2'-deacetyl-N2'-(4-mercapto-4-methyl-1-oxopentyl)-;DM4 top3;Mertansine Impurity 1
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

An ansa macrolide isolated from the MAYTENUS genus of East African shrubs.

DM4 Basic Attributes

Molecular Weight：

780.37

Exact Mass：

779.3218438

UNII：

WOB38VS2NI

Characteristics

Density：

1.29±0.1 g/cm3

Melting Point：

185-187 °C (decomp)

Boiling Point：

943.2±65.0 °C(Predicted)

PKA：

9.82±0.70

Safety Information

GHS Classification：

|Danger|H300 (66.67%): Fatal if swallowed [Danger Acute toxicity, oral]|P201, P202, P260, P261, P262, P264, P270, P271, P280, P281, P301+P310, P301+P330+P331, P302+P350, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P307+P311, P308+P313, P310, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Agents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity. (See all compounds classified as Antineoplastic Agents, Phytogenic.)|Agents that interact with TUBULIN to inhibit or promote polymerization of MICROTUBULES. (See all compounds classified as Tubulin Modulators.)

MeSH Entry Terms：

DM1, Maytansinoid

Computed Properties

Molecular Weight:780.4
XLogP3:3.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:9
Exact Mass:779.3218438
Monoisotopic Mass:779.3218438
Topological Polar Surface Area:158
Heavy Atom Count:53
Complexity:1430
Defined Atom Stereocenter Count:8
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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