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6-Methylmercaptopurine Riboside

HCID 9570
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
342-69-8
표준 SMILES
CSc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey
ZDRFDHHANOYUTE-IOSLPCCCSA-N
분자식
C11H14N4O4S
평균 분자량
298.32 g/mol
단동위원소 질량
298.07357593

개요

6-methylmercaptopurine riboside is a white powder. (NTP, 1992)

이름 및 식별자

우선 이름
6-Methylmercaptopurine Riboside
IUPAC
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol
영어명
6-Methylmercaptopurine riboside
분자식
C11H14N4O4S
분자량
298.32

이름 및 동의어

6-Methylmercaptopurine riboside342-69-8METHYLTHIOINOSINE6-Methylthiopurine ribosideMMPRMe6MPR6-Methyl MP riboside6-Methyl MP-riboside6-MMPR6-Methylthioinosine6-Methylmercaptopurine ribonucleosideMethylmercaptopurine riboside
이름 더 보기
nsc40774SQ-219776-SMe-PuR6-methylmp-riboside6-(methylthio)-inosinMercaptopurine Impurity 28
6-(Methylthio)purine ribonucleosideInosine, 6-S-methyl-6-thio-6-S-methyl-6-thioinosine6-Methyl-9-ribofuranosylpurine-6-thiolNCI-C04784beta-D-Ribosyl-6-methylthiopurineY5G39SHR0VDTXSID5030454

데이터베이스 식별자

CAS
342-69-8
PubChem CID
9570
DTXSID
DTXSID5030454
ChEMBL
CHEMBL388931
ChEBI
CHEBI:44081
UNII
Y5G39SHR0V

물성

구조 계산 물성

XLogP
0.1
극성 표면적
139 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
8
회전 가능 결합 수
3
무거운 원자 수
20
형식 전하
0
복잡도
352

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
Solubility · 5건

5 to 10 mg/mL at 66 °F (NTP, 1992)

DMA 167 (mg/mL)

50% DMF 50 (mg/mL)

H 25 (mg/mL)

Propylene glycol 6 (mg/mL)

Optical Rotation(c = 1, H2O) [a]22 D = - 58.0 ± 2
Physical Description6-methylmercaptopurine riboside is a white powder. (NTP, 1992)
Stability/Shelf Life · 1건

Bulk: The compound is stable to light and air, mildly decomposed by heat and acid, and is totally degraded by base and peroxidant (HPLC). Solution: A saturated solution at room temperature showed no detectable decomposition after 10 days (paper chromatography).

물리화학적 성질

녹는점
166 °C · 166°C
밀도
1.4113 · 1.4113 (rough estimate)
굴절률
1.627 · 1.6270 (estimate)
저장 조건
-20 °C · -20°C
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨, 초음파 처리)
물리적 상태
고체

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

유해성 정보

Reactive GroupAlcohols and Polyols
Air and Water ReactionsSlightly soluble in water.

안전 및 보호

First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. (NTP, 1992)

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

독성 정보

Toxicity DataRat(ip): LD50: 65 mg/kg

안전 데이터

화학 및 산업

응용 분야

용도6-Methylmercaptopurine Riboside (cas# 342-69-8) is a compound useful in organic synthesis.

일반 설명White powder.

공급사49 곳

阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
南京百芙利科技有限责任公司25-25-58740604 15951658055 · [email protected]
Syntechem Co.,Ltd[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
攀纳燊(河南)医药科学技术有限公司0371-65325800 13700860222 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
上海博路生物科技有限公司13062875887 · [email protected]

관련 반응

1건
반응 기록 만들기
HRID 2256195 반응식
HRID 2256195생성물로uspto-grants-1997_08

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
EC Number
206-442-2
Nikkaji
J53.894I
색상
흰색에서 황백색까지
생물학적 소스
synthetic (organic)
안정성
강한 산화제와 호환되지 않습니다.
InChI
1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3
InChIKey
ZDRFDHHANOYUTE-UHFFFAOYSA-N
SMILES
O[C@H]([C@@H](CO)O1)[C@@H](O)[C@@H]1N2C=NC3=C(SC)N=CN=C32
EPA
6 · 6-Methylmercaptopurine riboside (342-69-8)

화학적 성질

white powder

wgk
3
rtecs
UO8985000
HS 번호
29349990
safety_code
22-24/25
스토리지 클래스
11 - Combustible Solids
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
武汉开诺医药科技有限公司18040571231/1402788087
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Nanjing Baifuli Technology Co., Ltd.+86-15335185688 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
武汉福鑫化工有限公司+86-2759207851; +86-18007136271 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
山东鸿图生物科技有限公司15318761660 15966937598 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
郑州格然林科技有限公司0371-85513397 +86-18610099868 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
武汉爱默尔特科技有限公司027-888-4366503 13986279625 · [email protected]
四川普康药业有限公司15680681408 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
上海玄亨医药科技有限公司18202133986 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
河南科弘生物科技有限公司0371-55969461 18638736641 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
广州优南科技有限公司020-82000279 18988941452 · [email protected]
上海兆维科技发展有限公司021-64757213

추가 설명

정의ChEBI: A thiopurine that is inosine in which the aromatic hydroxy group is replaced by a methylsulfanediyl group.