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SR 1664

CAT: 0607-B5581-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B5581-10Size:10 mg
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Description
inhibits Cdk5-mediated PPARγ phosphorylation, antidiabetic agent
CAS Number
1338259-05-4
Product Name Alternative
(S,Z)-4'-((5-(hydroxy((1-(4-nitrophenyl)ethyl)imino)methyl)-2,3-dimethyl-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid
Field of Research
Metabolism PPAR
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
CC(C1=C2C=CC(/C(O)=N/[C@@](C3=CC=C(N(=O)=O)C=C3)([H])C)=C1)=C(N2CC4=CC=C(C5=CC=CC=C5C(O)=O)C=C4)C
Molecular Formula
C33H29N3O5
Molecular Weight
547.6
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

4'-[(2,3-Dimethyl-5-{[(1s)-1-(4-Nitrophenyl)ethyl]carbamoyl}-1h-Indol-1-Yl)methyl]biphenyl-2-Carboxylic Acid

[1,1'-biphenyl]-2-carboxylic acid, 4'-[[2,3-dimethyl-5-[[[(1s)-1-(4-nitrophenyl)ethyl]amino]carbonyl]-1h-indol-1-yl]methyl]- is an indolecarboxamide.

CAS Number1338259-05-4
PubChem CID53239854
IUPAC Name2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
Molecular FormulaC33H29N3O5
Molecular Weight547.6
XLogP6.5
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count41
Formal Charge0
Complexity922
SMILES
CC1=C(N(C2=C1C=C(C=C2)C(=O)N[C@@H](C)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O)C
InChI
InChI=1S/C33H29N3O5/c1-20-22(3)35(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)34-21(2)24-12-15-27(16-13-24)36(40)41/h4-18,21H,19H2,1-3H3,(H,34,37)(H,38,39)/t21-/m0/s1
InChIKey
IIJDFXNUWZTHIM-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of 4'-[(2,3-Dimethyl-5-{[(1s)-1-(4-Nitrophenyl)ethyl]carbamoyl}-1h-Indol-1-Yl)methyl]biphenyl-2-Carboxylic Acid
CAS: 1338259-05-4
CID: 53239854
Formula: C33H29N3O5
MW: 547.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight547.6
XLogP36.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass547.21072103
Monoisotopic Mass547.21072103
Topological Polar Surface Area117 Ų
Heavy Atom Count41
Formal Charge0
Complexity922
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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