CCX140

CAT: 0127-BUP05819-06Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP05819-06Size:100 mg

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CAS Number

1100318-47-5

Synonyms

CCX140-B

Purity

=95%

Smiles

Cc1cnc(C(=O)c2ncnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)c1

Chemical Information

Ilacirnon

Ilacirnon (CCX-140) is under investigation in clinical trial NCT01440257 (A Study to Evaluate the Effect of CCX140-B on Urinary Albumin Excretion in Subjects With Type 2 Diabetes and Albuminuria).

CAS Number	1100318-47-5
PubChem CID	25134303
IUPAC Name	4-chloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
Molecular Formula	C20H13ClF3N5O3S
Molecular Weight	495.9
XLogP	4.6
Topological Polar Surface Area	126
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Heavy Atom Count	33
Formal Charge	0
Complexity	827

SMILES

CC1=CC(=C(N=C1)C(=O)C2=C3C=CNC3=NC=N2)NS(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C20H13ClF3N5O3S/c1-10-6-15(29-33(31,32)11-2-3-14(21)13(7-11)20(22,23)24)17(26-8-10)18(30)16-12-4-5-25-19(12)28-9-27-16/h2-9,29H,1H3,(H,25,27,28)

InChIKey

LUUMLYXKTPBTQR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1100318-47-5

CID: 25134303

Formula: C20H13ClF3N5O3S

MW: 495.9

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	495.9
XLogP3	4.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	495.0379726
Monoisotopic Mass	495.0379726
Topological Polar Surface Area	126 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	827
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS3600382-01	CCX140
564126	CCX140-B

CCX140

Chemical Information

Alternative Products

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