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230961-08-7,MFCD19443865
Catalog No.:AA00C29X
230961-08-7 | N1-[(1S)-2,2-Dimethyl-1-[[[(1R)-1-phenylethyl]amino]carbonyl]propyl]-N4-hydroxy-2-[3-(2-methyl[1,1'-biphenyl]-4-yl)propyl]-butanediamine
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5mg
98%
2 weeks  
$185.00
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25mg
98%
2 weeks  
$523.00
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Technical Information
Catalog Number:
AA00C29X
Chemical Name:
N1-[(1S)-2,2-Dimethyl-1-[[[(1R)-1-phenylethyl]amino]carbonyl]propyl]-N4-hydroxy-2-[3-(2-methyl[1,1'-biphenyl]-4-yl)propyl]-butanediamine
CAS Number:
230961-08-7
Molecular Formula:
C34H43N3O4
Molecular Weight:
557.7229
MDL Number:
MFCD19443865
IUPAC Name:
(2R)-N-[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]-N'-hydroxy-2-[3-(3-methyl-4-phenylphenyl)propyl]butanediamide
InChI:
InChI=1S/C34H43N3O4/c1-23-21-25(19-20-29(23)27-16-10-7-11-17-27)13-12-18-28(22-30(38)37-41)32(39)36-31(34(3,4)5)33(40)35-24(2)26-14-8-6-9-15-26/h6-11,14-17,19-21,24,28,31,41H,12-13,18,22H2,1-5H3,(H,35,40)(H,36,39)(H,37,38)/t24-,28-,31-/m1/s1
InChI Key:
JJHRUUKMPWUYIB-HVOSOHGQSA-N
SMILES:
ONC(=O)CC(C(=O)NC(C(C)(C)C)C(=O)NC(c1ccccc1)C)CCCc1ccc(c(c1)C)c1ccccc1
Properties
Computed Properties
 
Complexity:
828  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
557.325g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
557.735g/mol
Monoisotopic Mass:
557.325g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1  

Synonyms
 
UK 356618 
UK-356618 
N1-[(1S)-2,2-Dimethyl-1-[[[(1R)-1-phenylethyl]amino]carbonyl]propyl]-N4-hydroxy-2-[3-(2-methyl[1,1'-biphenyl]-4-yl)propyl]-butanediamine 
ZINC3924338 
BDBM50097263 
AKOS024458021 
FT-0675728 
PF 03890101 
PF-03890101 
UK-356618, >=98% (HPLC) 
J-014983 
BRD-K57011718-001-01-5 
230961-08-7 
(2R)-N-[(2S)-3,3-dimethyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]-N'-hydroxy-2-[3-(3-methyl-4-phenylphenyl)propyl]butanediamide 
(2R)-N1-[(1S)-2,2-Dimethyl-1-({[(1R)-1-phenylethyl]amino}carbonyl)propyl]-2-{3-[(3-methyl-4-phenyl)-phenyl]propyl}-(N4-hydroxy)butanediamide 
(2R)-N1-[(1S)-2,2-Dimethyl-1-[[[(1R)-1-phenylethyl]amino]carbonyl]propyl]-N4-hydroxy-2-[3-(2-methyl[1,1'-biphenyl]-4-yl)propyl]butanediamide 
(R)-N*1*-[(S)-2,2-Dimethyl-1-((R)-1-phenyl-ethylcarbamoyl)-propyl]-N*4*-hydroxy-2-[3-(2-methyl-biphenyl-4-yl)-propyl]-succinamide 
N*1*-[2,2-Dimethyl-1-(1-phenyl-ethylcarbamoyl)-propyl]-N*4*-hydroxy-2-[3-(2-methyl-biphenyl-4-yl)-propyl]-succinamide 
D0NP8A 
JJHRUUKMPWUYIB-HVOSOHGQSA-N 
CID10370504 
CID 10370504 
A4440 
CHEMBL117225 
UK-356,618 
(R)-N1-((S)-3,3-dimethyl-1-oxo-1-((R)-1-phenylethylamino)butan-2-yl)-N4-hydroxy-2-(3-(2-methylbiphenyl-4-yl)propyl)succinamide 
GTPL6528 
SCHEMBL6437730 
CHEBI:94305 
DTXSID50438778 
Literature

Title: Specific targeting of metzincin family members with small-molecule inhibitors: progress toward a multifarious challenge.

Journal: Bioorganic & medicinal chemistry 20081001

Title: Matrix metalloproteinases (MMPs): chemical-biological functions and (Q)SARs.

Journal: Bioorganic & medicinal chemistry 20070315

Title: A potent, selective inhibitor of matrix metalloproteinase-3 for the topical treatment of chronic dermal ulcers.

Journal: Journal of medicinal chemistry 20030731

Title: Discovery of potent and selective succinyl hydroxamate inhibitors of matrix metalloprotease-3 (stromelysin-1).

Journal: Bioorganic & medicinal chemistry letters 20010226

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