Products for Research Use Only

ICAM-1-IN-1

CAT: 0013-GTR19175704-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19175704-01Size:1 mg
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Description
ICAM-1-IN-1 is a potent dual inhibitor of E-selectin (IC50 = 7 nM) and ICAM-1 (IC50 = 5 nM) . This small molecule is a valuable research tool for studying cell adhesion and inflammation in vitro and has shown efficacy in animal models of inflammatory diseases.
CAS Number
251994-14-6
Product Name Alternative
ICAM 1 IN 1, ICAM-1, ICAM1IN1, ICAM-1-IN-1, E-selectin, Inhibitor, Integrin, inhibit
Field of Research
Immunology & Inflammation, Signal Transduction
Purity
99.34% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.51 mM) ; DMSO:50 mg/mL (137.65 mM)
Smiles
CNC (=O) c1cc2c (Oc3ccc (Br) cc3) cncc2s1
Molecular Formula
C15H11BrN2O2S
Molecular Weight
363.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cam-IN-1
CAS Number251994-14-6
PubChem CID10361323
IUPAC Name4-(4-bromophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide
Molecular FormulaC15H11BrN2O2S
Molecular Weight363.2
XLogP3.7
Topological Polar Surface Area79.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity377
SMILES
CNC(=O)C1=CC2=C(S1)C=NC=C2OC3=CC=C(C=C3)Br
InChI
InChI=1S/C15H11BrN2O2S/c1-17-15(19)13-6-11-12(7-18-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,19)
InChIKey
OFXAEWYLVPBGGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cam-IN-1
CAS: 251994-14-6
CID: 10361323
Formula: C15H11BrN2O2S
MW: 363.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight363.2
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass361.97246
Monoisotopic Mass361.97246
Topological Polar Surface Area79.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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