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UMI-77

UMI-77 structure

CAS No:
518303-20-3
Formula:
C18H14BrNO5S2
Chemical Name:
UMI-77
Synonyms:
2-[[4-[[(4-bromophenyl)sulfonyl]amino]-1-hydroxy-2-naphthalenyl]thio]-acetic acid;2-[4-[(4-Bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylacetic acid UMI-77;2-((4-(4-Bromophenylsulfonamido)-1-hydroxynaphthalen-2-yl)thio)acetic acid;Acetic acid, 2-[[4-[[(4-bromophenyl)sulfonyl]amino]-1-hydroxy-2-naphthalenyl]thio]-
Categories:
Biochemical Engineering > Inhibitors

Description

UMI-77 is a selective Mcl-1 inhibitor, which shows high binding affinity to Mcl-1 (IC50=0.31 μM). UMI-77 binds to the BH3 binding groove of Mcl-1 with Ki of 490 nM, showing selectivity over other members of anti-apoptotic Bcl-2 members.

UMI-77 Basic Attributes

Molecular Weight：

468.34146

Exact Mass：

466.949677

Characteristics

PSA：

137

XLogP3：

4.1

Density：

1.79±0.1 g/cm3

Flash Point：

353.7±34.3 °C

Refractive Index：

1.781

Water Solubility：

H2O: Insuluble (1.8E-4 g/L) (25 ºC)

Safety Information

Transport codes：

NONH for all modes of transport

Precautionary statement(s)：

P280-P301 + P312 + P330-P305 + P351 + P338 + P310

Hazard Statements：

H302-H315-H318-H335

Drug Information

MeSH Entry Terms：

UMI-77

Computed Properties

Molecular Weight:468.3
XLogP3:4.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:466.94968
Monoisotopic Mass:466.94968
Topological Polar Surface Area:137
Heavy Atom Count:27
Complexity:618
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes