6,7-디메틸-8-리비틸루마진

6,7-Dimethyl-8-ribityllumazine

HCID 168989CAS 2535-20-8

기본 정보

표준 SMILES: Cc1nc2c(=O)[nH]c(=O)nc-2n(C[C@H](O)[C@H](O)[C@H](O)CO)c1C
InChIKey: SXDXRJZUAJBNFL-XKSSXDPKSA-N
분자식: C13H18N4O6
평균 분자량: 326.31 g/mol
단동위원소 질량: 326.1226343

개요

6,7-dimethyl-8-(1-D-ribityl)lumazine is the pteridine that is lumazine substituted with methyl groups at C-6 and -7 and with a 1-D-ribityl group on N-8. It has a role as a cofactor and an Escherichia coli metabolite. It is functionally related to a ribitol and a lumazine. It is a conjugate acid of a 6,7-dimethyl-8-(1-D-ribityl)lumazine(1-).

이름 및 식별자

우선 이름: 6,7-Dimethyl-8-ribityllumazine
IUPAC: 6,7-dimethyl-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]pteridine-2,4-dione
현지명: 루스프테리딘IV
영어명: Russupteridine IV
분자식: C13H18N4O6
분자량: 326.31

이름 및 동의어

6,7-Dimethyl-8-ribityllumazine6,7-dimethyl-8-(1-D-ribityl)lumazineRussupteridine IV6,7-dimethyl-8-(D-ribityl)lumazineRL-6,7-diMeO1DSD0WC7M6,7-dimethyl-8-D-ribityllumazineCHEBI:17601UNII-O1DSD0WC7MRiboflavin impurity C [EP]DTXSID90199199RIBOFLAVIN IMPURITY C [EP IMPURITY]

이름 더 보기

루스프테리딘IV6,7-DimethylribitylVitamin B2 Impurity CRiboflavin EP Impurity C6,7-DiMethylriboluMazineRussupteridine IV Impurity6,7-DiMethylribityl LuMazineRiboflavin(VB2) EP Impurity C6,7-DiMethyl-8-(1'-D-ribityl)luMazine

1-Deoxy-1-(3,4-dihydro-6,7-dimethyl-2,4-dioxo-8(2H)-pteridinyl)-ribitolRibitol, 1-deoxy-1-(3,4-dihydro-6,7-dimethyl-2,4-dioxo-8(2H)-pteridinyl)-D-RIBITOL, 1-DEOXY-1-(3,4-DIHYDRO-6,7-DIMETHYL-2,4-DIOXO-8(2H)-PTERIDINYL)-RIBOFLAVIN IMPURITY C (EP IMPURITY)Riboflavin impurity CRefChem:103865DTXCID701216906,7-Dimethyl-8-ribityllumazine, (D)-isomer

데이터베이스 식별자

CAS: 2535-20-8、5118-16-1
PubChem CID: 168989
DTXSID: DTXSID90199199
ChEBI: CHEBI:17601
UNII: O1DSD0WC7M
Nikkaji: J643.571H

물성

구조 계산 물성

XLogP: -2.7
극성 표면적: 155 Å²
수소 결합 공여자 수: 5
수소 결합 수용자 수: 7
회전 가능 결합 수: 5
무거운 원자 수: 23
형식 전하: 0
복잡도: 626

실험 및 물리화학적 성질

LogP-3.145

Physical DescriptionSolid

물리화학적 성질

녹는점: 272 · 272-274 °C (decomp)
밀도: 1.7 · 1.70±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
용해도: DMSO(약간 용해됨), 물(약간 용해됨)
산도 계수 (pKa): 9.39 · 9.39±0.70(Predicted)
물리적 상태: 고체
색상: 진한 노란색에서 매우 진한 갈색까지
안정성: 감광성
InChI: InChI=1S/C13H18N4O6/c1-5-6(2)17(3-7(19)10(21)8(20)4-18)11-9(14-5)12(22)16-13(23)15-11/h7-8,10,18-21H,3-4H2,1-2H3,(H,16,22,23)/t7-,8+,10-/m0/s1
InChIKey: SXDXRJZUAJBNFL-XKSSXDPKSA-N
SMILES: C(N1C(=C(N=C2C(NC(N=C12)=O)=O)C)C)[C@H](O)[C@H](O)[C@H](O)CO

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

약리 정보

Metabolite PathwaysRiboflavin Metabolism

응용 분야 · 2건

개요6,7-dimethyl-8-Ribityllumazine (DMRL) is a natural chromophore of lumazine protein (LumP), a fluorescent accessory protein that induces a blue shift (495 to 475 nm) in luciferase emission wavelengths in bioluminescent Photobacterium. DMRL binds noncovalently to both the N- and C-terminal domains of LumP. It is also a biosynthetic precursor of riboflavin and substrate of riboflavin synthase.

용도6,7-Dimethyl-8-ribityllumazine serves as fluorophore in Lumazine (L473800) proteins (LumP) of luminescent bacteria.

상·하류 제품 정보

상류 원료

2-Butanone, 3-hydroxy-4-(phosphonooxy)-D-glucose 2,3-부탄디온

공급사37 곳

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