Rp-8-Br-cGMPS, cGMP blocker

Key facts

CAS number

150418-07-8

Purity

>98%

Molecular weight

462.15 Da

Molecular formula

C₁₀H₁₀BrN₅NaO₆PS

PubChem

44755026

Nature

Synthetic

Solubility

Soluble in water to 50 mM

Biochemical name

CID 44755026

Biological description

cGMP blocker. Competitively inhibits relaxation elicited by 8-Br-cGMP in isolated rabbit aorta contracted by phenylephrine at 30 μM.

Canonical smiles

C1C2C(C(C(O2)N3C4=C(C(=O)N=C(N4)N)N=C3Br)O)OP(=S)(O1)[O-].[Na+]

Isomeric smiles

C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=O)N=C(N4)N)N=C3Br)O)OP(=S)(O1)[O-].[Na+]

InChi

InChI=1S/C10H11BrN5O6PS.Na/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(21-8)1-20-23(19,24)22-5;/h2,4-5,8,17H,1H2,(H,19,24)(H3,12,14,15,18);/q;+1/p-1/t2-,4-,5-,8-,23?;/m1./s1

InChiKey

CHTSSROWUAICIL-HUSULMCLSA-M

IUPAC Name

sodium;9-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-8-bromo-3H-purin-6-one