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PD 151746

PD 151746 structure

CAS No:
179461-52-0
Formula:
C11H8FNO2S
Chemical Name:
PD 151746
Synonyms:
3-(5-FLUORO-3-INDOLYL)-2-MERCAPTO-(Z)-2-PROPENOIC ACID;PD 151746;3-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-propenoic acid;PD1517463-(5-fluoro-1H-indol-3-yl)-2-mercapto-2-Propenoic acid
Categories:
Biochemical Engineering > Inhibitors

Description

PD151746 is a calpain inhibitor, shows a 20-fold selectivity for u-calpain (Ki = 0.26 ± 0.03 μM) over m-calpain (Ki = 5.33 ± 0.77 μM).IC50 value: 0.26 ± 0.03 μM (Ki, for μ-calpain), 5.33 ± 0.77 μM (Ki, for m-calpain) [1]Target: calpainin vitro: The μ-calpain inhibitor PD 151746 decreases oxLDL-induced cytotoxicity. [2]

PD 151746 Basic Attributes

Molecular Weight：

237.25

Exact Mass：

237.02600

HScode：

29339900

Characteristics

PSA：

91.89000

XLogP3：

2.66230

Appearance：

light orange to dark orange

Density：

1.525±0.06 g/cm3

Water Solubility：

DMSO: soluble15mg/mL (clear orange solution)

Storage Conditions：

-20°C

Safety Information

Transport codes：

3077

wgk germany：

safety instructions：

24/25

Drug Information

MeSH Entry Terms：

3-(5-fluoro-3-indolyl)-2-mercapto-(Z)-2-propenoic acid

Computed Properties

Molecular Weight:237.25
XLogP3:2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:237.02597783
Monoisotopic Mass:237.02597783
Topological Polar Surface Area:54.1
Heavy Atom Count:16
Complexity:321
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes