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Pyrintegrin

CAT: 0957-E0462-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-E0462-03Size:25 mg
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Description
Pyrintegrin is an β1-integrin agonist and a 2,4-disubstituted pyrimidine that promotes embryonic stem cells survival, also enhances cell-extracellular matrix (ECM) adhesion-mediated integrin signaling.
CAS Number
1228445-38-2
Target
Integrin
Activity
Cytoskeletal Signaling
Molecular Formula
C23H25N5O3S
Storage Conditions
3 years -20°C powder

Chemical Information

Pyrintegrin

Pyrintegrin is an organic molecular entity.

CAS Number1228445-38-2
PubChem CID46223724
IUPAC NameN-(cyclopropylmethyl)-4-[[4-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
Molecular FormulaC23H25N5O3S
Molecular Weight451.5
XLogP3.8
Topological Polar Surface Area116
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity720
SMILES
C1CC2=C(C=CC(=C2)O)N(C1)C3=NC(=NC=C3)NC4=CC=C(C=C4)S(=O)(=O)NCC5CC5
InChI
InChI=1S/C23H25N5O3S/c29-19-7-10-21-17(14-19)2-1-13-28(21)22-11-12-24-23(27-22)26-18-5-8-20(9-6-18)32(30,31)25-15-16-3-4-16/h5-12,14,16,25,29H,1-4,13,15H2,(H,24,26,27)
InChIKey
QRJTZIJWDLJKQO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrintegrin
CAS: 1228445-38-2
CID: 46223724
Formula: C23H25N5O3S
MW: 451.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.5
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass451.16781085
Monoisotopic Mass451.16781085
Topological Polar Surface Area116 Ų
Heavy Atom Count32
Formal Charge0
Complexity720
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

Alternative Products

CatalogName
C3882-5Pyrintegrin
A12876-100Pyrintegrin 100mg
A12876-5Pyrintegrin 5mg

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