6-브로메틸-프테리딘-2,4-디아민HBR

6-(Bromomethyl)-2-imino-2,3-dihydropteridin-4-amine--hydrogen bromide (1/1)

HCID 12503242
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기본 정보

CAS
52853-40-4
표준 SMILES
Br.Nc1nc(N)c2nc(CBr)cnc2n1
InChIKey
KMQIBGKVZDBGAH-UHFFFAOYSA-N
분자식
C7H8Br2N6
평균 분자량
335.99 g/mol
단동위원소 질량
333.91772

이름 및 식별자

우선 이름
6-(Bromomethyl)-2-imino-2,3-dihydropteridin-4-amine--hydrogen bromide (1/1)
IUPAC
6-(bromomethyl)pteridine-2,4-diamine;hydrobromide
현지명
6-브로메틸-프테리딘-2,4-디아민HBR
영어명
6-(Bromomethyl)-2,4-pteridinediamine hydrobromide
분자식
C7H8Br2N6
분자량
335.99

이름 및 동의어

DTXSID009673216-(Bromomethyl)-2-imino-2,3-dihydropteridin-4-amine--hydrogen bromide (1/1)RefChem:1073726DTXCID40139492152853-40-46-(bromomethyl)pteridine-2,4-diamine hydrobromide6-(bromomethyl)-2,4-pteridinediamine hydrobromide6-Bromomethyl-pteridine-2,4-diamine HBr2,4-Diamino-6-(bromomethyl)pteridine HydrobromideMFCD098339766-(Bromomethyl)-2,4-pteridinediamine Hydrobromide (Technical Grade)6-(bromomethyl)pteridine-2,4-diamine;hydrobromide
이름 더 보기
6-브로메틸-프테리딘-2,4-디아민HBR2,4-pteridinediaMine, 6-(broMoMethyl)-, hydrobroMideNsc253943Methotrexate Impurity 15Methotrexate Impurity 17 HBr6-Bromoethyl-pteridine-2,4-diamine2, 4-diaMino-6-(broMoMethyl)-pteridine HCL6-Bromomethyl-pteridine-2,4-diamine hydrobromide
6-Bromomethyl-pteridine-2,4-diamineHBr2,4-Pteridinediamine, 6-(bromomethyl)-, hydrobromide (1:1); 2,4-Pteridinediamine, 6-(bromomethyl)-, monohydrobromide (9CI); 2,4-Diamino-6-(bromomethyl)pteridine hydrobromide; 6-(Bromomethyl)-2,4-diaminopteridine hydrobromide; 6-(Bromomethyl)-2,4-pteridinediamine hydrobromide; 6-(Bromomethyl)pteridine-2,4-diamine Hydrobromide6-(Bromomethyl)-2,4-diaminopteridine Hydrobromide6-(bromomethyl)pteridine-2,4-diamine (hydrobromide)2,4-Pteridinediamine, 6-(bromomethyl)-, monohydrobromideMethotrexate Impurity 16RP4US6HNP5C7H8Br2N6

데이터베이스 식별자

CAS
52853-40-4
PubChem CID
12503242
DTXSID
DTXSID00967321
UNII
RP4US6HNP5

물성

구조 계산 물성

극성 표면적
104 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
6
회전 가능 결합 수
1
무거운 원자 수
15

물리화학적 성질

녹는점
195 °C · >195°C (dec.)
저장 조건
-20 °C · -20°C Freezer
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체
색상
밝은 갈색에서 갈색까지
InChI
InChI=1S/C7H7BrN6.BrH/c8-1-3-2-11-6-4(12-3)5(9)13-7(10)14-6;/h2H,1H2,(H4,9,10,11,13,14);1H

화학적 성질

Light Brown Solid

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

응용 분야 · 2건

개요6-(Bromomethyl)-2,4-pteridinediamine hydrobromide is a potent inhibitor of the enzyme nitroaldolase (EC 1.2.1.22) and has been shown to inhibit cell growth in murine leukemia cells. This reaction is mediated by the addition of bromide to isobutyl esters, leading to a benzyl ester intermediate which undergoes an electrophilic attack on nitroaldolase. The mechanism of action for this drug involves the inhibition of membrane transport and chloride ion influx, which are necessary for the proliferation of tumor cells. 6-(Bromomethyl)-2,4-pteridinediamine hydrobromide also inhibits DNA synthesis through its effects on thymidylate synthase, preventing nucleotide production from thymine and dihydrofolate reductase activity.

용도6-(Bromomethyl)-2,4-pteridinediamine hydrobromide can be used as organic synthesis intermediate and pharmaceutical intermediate.

상·하류 제품 정보

공급사100 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

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