SGC agonist 1

CAT: 0931-T62471-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T62471-01Size:25 mg

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CAS Number

1426309-31-0

Target

Others, Guanylate cyclase

Related Pathways

Others, GPCR/G Protein

Bioactivity

SGC agonist 1 is a potent soluble guanylate cyclase (SGC) agonist that enhances solubility and exhibits high cell permeability.

Smiles

C(N1N=C(C=2C1=NC(C)=C(F)C2)C=3N=C4C(=C(N)N3)C(C)(C)C(=O)N4)C5=C(F)C=CC=C5

Molecular Formula

C22H19F2N7O

Molecular Weight

435.43

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

SGC agonist 1

CAS Number	1426309-31-0
PubChem CID	71285797
IUPAC Name	4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]-6-methylpyrazolo[3,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
Molecular Formula	C22H19F2N7O
Molecular Weight	435.4
XLogP	2.8
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	32
Formal Charge	0
Complexity	726

SMILES

CC1=C(C=C2C(=NN(C2=N1)CC3=CC=CC=C3F)C4=NC(=C5C(=N4)NC(=O)C5(C)C)N)F

InChI

InChI=1S/C22H19F2N7O/c1-10-14(24)8-12-16(19-27-17(25)15-18(28-19)29-21(32)22(15,2)3)30-31(20(12)26-10)9-11-6-4-5-7-13(11)23/h4-8H,9H2,1-3H3,(H3,25,27,28,29,32)

InChIKey

QGMYCEGLHMRVMT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1426309-31-0

CID: 71285797

Formula: C22H19F2N7O

MW: 435.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	435.4
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	435.16191458
Monoisotopic Mass	435.16191458
Topological Polar Surface Area	112 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	726
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

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SGC agonist 1

Chemical Information

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