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LDC000067

LDC000067 structure

CAS No:
1073485-20-7
Formula:
C18H18N4O3S
Chemical Name:
LDC000067
Synonyms:
LDC000067;LDC 067;LDC067;LDC-067;(3-(6-(2-Methoxyphenyl)pyrimidin-4-ylamino)phenyl)methanesulfonamide;3-[[6-(2-methoxyphenyl)-4-pyrimidinyl]amino]-benzenemethanesulfonamide
Categories:
Biochemical Engineering > Inhibitors

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Description

LDC000067 is a highly specific CDK9 inhibitor with an IC50 value of 44±10 nM in vitro.

LDC000067 Basic Attributes

Molecular Weight：

370.43

Exact Mass：

370.109955

Characteristics

PSA：

116

XLogP3：

2.2

Density：

1.360±0.06 g/cm3(Predicted)

Boiling Point：

604.1±65.0 °C(Predicted)

Flash Point：

319.2±34.3 °C

Refractive Index：

1.646

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

3-((6-(2-methoxyphenyl)pyrimidin-4-yl)amino)phenyl)methane sulfonamide

Computed Properties

Molecular Weight:370.4
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:370.10996162
Monoisotopic Mass:370.10996162
Topological Polar Surface Area:116
Heavy Atom Count:26
Complexity:539
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes