BRP-201

CAT: 0931-T63424-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T63424-03Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2227434-74-2

Target

Others, PGE Synthase

Related Pathways

Immunology/Inflammation, Others

Bioactivity

BRP-201 is a selective, novel, and potent inhibitor of mPGES-1 (IC50: 0.42 μM) and is considered a promising therapeutic target for the next generation of anti-inflammatory drugs for the treatment of inflammatory diseases.

Smiles

C(N1C=2C(N=C1C(C)C3=CC=C(CC(C)C)C=C3)=CC(=CC2)C=4OC(=S)NN4)C5=C(Cl)C=CC=C5

Molecular Formula

C28H27ClN4OS

Molecular Weight

503.06

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

5-[1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-5-yl]-3H-1,3,4-oxadiazole-2-thione

CAS Number	2227434-74-2
PubChem CID	145983649
IUPAC Name	5-[1-[(2-chlorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
Molecular Formula	C28H27ClN4OS
Molecular Weight	503.1
XLogP	7.6
Topological Polar Surface Area	83.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	35
Formal Charge	0
Complexity	770

SMILES

CC(C)CC1=CC=C(C=C1)C(C)C2=NC3=C(N2CC4=CC=CC=C4Cl)C=CC(=C3)C5=NNC(=S)O5

InChI

InChI=1S/C28H27ClN4OS/c1-17(2)14-19-8-10-20(11-9-19)18(3)26-30-24-15-21(27-31-32-28(35)34-27)12-13-25(24)33(26)16-22-6-4-5-7-23(22)29/h4-13,15,17-18H,14,16H2,1-3H3,(H,32,35)

InChIKey

ZADYAZTTWZYTSD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2227434-74-2

CID: 145983649

Formula: C28H27ClN4OS

MW: 503.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	503.1
XLogP3	7.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	502.1594104
Monoisotopic Mass	502.1594104
Topological Polar Surface Area	83.5 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	770
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Chemical Information

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