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N-[(4′-Bromo[1,1′-biphenyl]-4-yl)sulfonyl]-L-valine

N-[(4′-Bromo[1,1′-biphenyl]-4-yl)sulfonyl]-L-valine structure

CAS No:
199850-67-4
Formula:
C17H18BrNO4S
Chemical Name:
N-[(4′-Bromo[1,1′-biphenyl]-4-yl)sulfonyl]-L-valine
Synonyms:
L-Valine,N-[(4′-bromo[1,1′-biphenyl]-4-yl)sulfonyl]-;N-[(4′-Bromo[1,1′-biphenyl]-4-yl)sulfonyl]-L-valine;PD 166793-0000;PD 166793;(2S)-2-[[4-(4-Bromophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid;(S)-2-(4′-Bromobiphenyl-4-ylsulfonamido)-3-methylbutanoic acid
Categories:
Biochemical Engineering > Amino Acids and Derivatives

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N-[(4′-Bromo[1,1′-biphenyl]-4-yl)sulfonyl]-L-valine Basic Attributes

Molecular Weight：

412.302

Exact Mass：

412.30

UNII：

U855L3SOXD

DSSTox ID：

DTXSID80432421

Characteristics

PSA：

91.8

XLogP3：

4.97530

Density：

1.457

Melting Point：

192-193 °C

Boiling Point：

562.069ºC at 760 mmHg

Flash Point：

293.729ºC

Refractive Index：

1.597

Storage Conditions：

Desiccate at +4°C

Drug Information

MeSH：

Compounds that inhibit the enzyme activity or activation of MATRIX METALLOPROTEINASES. (See all compounds classified as Matrix Metalloproteinase Inhibitors.)

MeSH Entry Terms：

(R)-2-(4'-bromo-biphenyl-4-sulfonyl-amino)-3-methyl-butyric acid

N-[(4′-Bromo[1,1′-biphenyl]-4-yl)sulfonyl]-L-valine Use and Manufacturing

Broad spectrum matrix metalloprotease (MMP) inhibitor. Displays high affinity for MMP-2, -3 and -13 (IC 50 values are 4, 7 and 8 nM respectively) and exhibits > 750-fold selectivity over MMP-1, -7 and -9. Attenuates left ventricular remodelling and dysfunction in rat model of heart failure.

Computed Properties

Molecular Weight:412.3
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:411.01399
Monoisotopic Mass:411.01399
Topological Polar Surface Area:91.8
Heavy Atom Count:24
Complexity:515
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[(4′-Bromo[1,1′-biphenyl]-4-yl)sulfonyl]-L-valine

Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

N-[(4′-Bromo[1,1′-biphenyl]-4-yl)sulfonyl]-L-valine

SDS

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