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BR103354

CAT: 0013-GTR19210415-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210415-01Size:25 mg
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Description
BR103354 is a potent and selective fibroblast activation protein (FAP) inhibitor with an IC50 of 14 nM. It demonstrates anti-diabetic and anti-steatotic effects in vivo, enhancing the activity of hFGF21 in ob/ob mice, and shows favorable pharmacokinetics for research into metabolic diseases like NASH.
CAS Number
2505339-87-5
Smiles
C (CNC (=O) C=1N=C (CC2=CC=C (C#N) C=C2) SC1) (=O) N3[C@H] (C#N) CC (F) (F) C3
Molecular Formula
C19H15F2N5O2S
Molecular Weight
415.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S)-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)-2-(4-cyanobenzyl)thiazole-4-carboxamide
CAS Number2505339-87-5
PubChem CID155755147
IUPAC NameN-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[(4-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide
Molecular FormulaC19H15F2N5O2S
Molecular Weight415.4
XLogP2.4
Topological Polar Surface Area138
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity737
SMILES
C1[C@H](N(CC1(F)F)C(=O)CNC(=O)C2=CSC(=N2)CC3=CC=C(C=C3)C#N)C#N
InChI
InChI=1S/C19H15F2N5O2S/c20-19(21)6-14(8-23)26(11-19)17(27)9-24-18(28)15-10-29-16(25-15)5-12-1-3-13(7-22)4-2-12/h1-4,10,14H,5-6,9,11H2,(H,24,28)/t14-/m0/s1
InChIKey
PRKFSEKNKYVALC-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of (S)-N-(2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl)-2-(4-cyanobenzyl)thiazole-4-carboxamide
CAS: 2505339-87-5
CID: 155755147
Formula: C19H15F2N5O2S
MW: 415.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.4
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass415.09145224
Monoisotopic Mass415.09145224
Topological Polar Surface Area138 Ų
Heavy Atom Count29
Formal Charge0
Complexity737
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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