Nitrocefin, Chromogenic cephalosporin beta-lactamase substrate

주요 정보

CAS 번호

41906-86-9

Purity

>95%

제형

Solid

form

Molecular weight

516.5 Da

Molecular formula

C₂₁H₁₆N₄O₈S₂

PubChem

6436140

Nature

Synthetic

Solubility

Soluble in DMSO to 50 mM

생화학적 명칭

Nitrocefin

생물학적 정보

Chromogenic cephalosporin β-lactamase substrate. Indicates β-lactamase activity via a red color intensely proportional to the original concentration of Nitrocefin. Undergoes rapid distinctive color change from yellow (max at pH 7.0 = 390 nm) to red (max at pH 7.0 = 486 nm) as the amide bond in the beta-lactam ring is hydrolyzed.

Canonical SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)O)C=CC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)O)/C=C/C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChi

InChI=1S/C21H16N4O8S2/c26-16(9-14-2-1-7-34-14)22-17-19(27)23-18(21(28)29)12(10-35-20(17)23)4-3-11-5-6-13(24(30)31)8-15(11)25(32)33/h1-8,17,20H,9-10H2,(H,22,26)(H,28,29)/b4-3+/t17-,20-/m1/s1

InChiKey

LHNIIDJCEODSHA-OQRUQETBSA-N

IUPAC Name

(6R,7R)-3-[(E)-2-(2,4-dinitrophenyl)ethenyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid