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SR 27417A

CAT: 0013-GTR19208984-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208984-02Size:50 mg
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Description
SR 27417A is a selective antagonist of the platelet-activating factor (PAF) receptor. It is a valuable research tool for studying PAF-mediated signaling in inflammation, allergy, and anaphylaxis, with applications in both in vitro binding assays and in vivo experimental models.
CAS Number
136470-45-6
Smiles
OC (=O) \C=C\C (O) =O.CC (C) c1cc (C (C) C) c (-c2csc (n2) N (CCN (C) C) Cc2cccnc2) c (c1) C (C) C
Molecular Formula
C32H44N4O4S
Molecular Weight
580.79
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Foropafant fumarate
CAS Number136470-45-6
PubChem CID9938199
IUPAC Name(E)-but-2-enedioic acid;N,N-dimethyl-N'-(pyridin-3-ylmethyl)-N'-[4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl]ethane-1,2-diamine
Molecular FormulaC32H44N4O4S
Molecular Weight580.8
Topological Polar Surface Area135
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count41
Formal Charge0
Complexity667
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CSC(=N2)N(CCN(C)C)CC3=CN=CC=C3)C(C)C.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/C28H40N4S.C4H4O4/c1-19(2)23-14-24(20(3)4)27(25(15-23)21(5)6)26-18-33-28(30-26)32(13-12-31(7)8)17-22-10-9-11-29-16-22;5-3(6)1-2-4(7)8/h9-11,14-16,18-21H,12-13,17H2,1-8H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey
VVMIAYBAROQMMT-WLHGVMLRSA-N
Chemical Structure
2D Structure
2D structure of Foropafant fumarate
CAS: 136470-45-6
CID: 9938199
Formula: C32H44N4O4S
MW: 580.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight580.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass580.30832707
Monoisotopic Mass580.30832707
Topological Polar Surface Area135 Ų
Heavy Atom Count41
Formal Charge0
Complexity667
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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