기본 정보
- CAS
75621-03-3- 표준 SMILES
C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C- InChIKey
UMCMPZBLKLEWAF-BCTGSCMUSA-N- 분자식
- C32H58N2O7S
- 평균 분자량
- 614.9 g/mol
- 단동위원소 질량
- 614.39647337
개요
3-[(3-cholamidopropyl)dimethylammonio]propane-1-sulfonate is an ammonium betaine. It is functionally related to a cholic acid. It is a conjugate base of a 3-[(cholamidopropyl)dimethylammonio]-1-propanesulfonate.
이름 및 식별자
- 우선 이름
- 3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate
- IUPAC
- 3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]propane-1-sulfonate
- 영어명
- CHAPS
- 분자식
- C32H58N2O7S
- 분자량
- 614.88
이름 및 동의어
CHAPS75621-03-33-((3-Cholamidopropyl)dimethylammonium)-1-propanesulfonate3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATEQBP25342AG1-Propanaminium, N,N-dimethyl-3-sulfo-N-(3-(((3alpha,5beta,7alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)propyl)-,hydroxide, inner salt3-(3-cholamidopropyl)dimethylammoniumpropane sulfonate1-Propanaminium, N,N-dimethyl-N-(3-sulfopropyl)-3-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-, hydroxide, inner saltCholic acid sulfobetaine1-propanaminium, N,N-dimethyl-3-sulfo-N-(3-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)propyl)-, hydroxide, inner salt3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]ammonio]propane-1-sulfonate3-((3-Cholamidopropyl)dimethylammonio)-1-propanesulfonate3-(dimethyl-(3-(((4R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-17-yl)pentanoyl)amino)propyl)ammonio)propane-1-sulfonate
이름 더 보기
TRENDN,N-Dimethyl-N-(3-sulfonatopropyl)-3-[(3α,7α,12α-trihydroxy-24-oxo-5β-cholan-24-yl)amino]propylaminiumN,N-Dimethyl-N-(3-sulfonatopropyl)-3-[[3α,7α,12α-trihydroxy-24-oxo-5β-cholan-24-yl]amino]-1-propaneaminium1-Propanaminium, N,N-dimethyl-N-(3-sulfopropyl)-3-[[(3a,5b,7a,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-, inner saltCHAPS, 98+%CHAPS 100 mMCHAPS, >=99%CHAPS buffer
RefChem:1250201-Propanaminium, N,N-dimethyl-N-(3-sulfopropyl)-3-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-, inner salt616-246-2MFCD000810833-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]propane-1-sulfonateCS-0926UNII-QBP25342AG1-Propanaminium,N,N-dimethyl-N-(3-sulfopropyl)-3-[[(3a,5b,7a,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-, inner salt
데이터베이스 식별자
- CAS
75621-03-3- PubChem CID
- 107670
- DTXSID
DTXSID70997059- ChEMBL
CHEMBL450950- ChEBI
CHEBI:1418- UNII
- QBP25342AG
- EC Number
- 616-246-2
- Nikkaji
- J247.112D
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 155 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,030
실험 및 물리화학적 성질
Chemical ClassesOther Uses -> Biochemical Research
Physical DescriptionSolid; [Merck Index] White crystalline powder; [Amresco MSDS]
물리화학적 성질
- 녹는점
- 156 · 156-158°C (dec.)
- 밀도
- 1.01 g/mL · 1.01 g/mL at 20 °C
- 굴절률
- 1.69 · 1.6900 (estimate)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 2 O: · H2O: 50 mg/mL at 20 °C, 투명, 무색
- 물리적 상태
- 결정성 분말
- 색상
- 하얀색
- 냄새
- 냄새 없는
- 수소이온지수(pH)
- 6 · 6 (100g/L in H2O)
- 수용성
- 물에 용해됩니다(10mg/ml). DMF 및 뜨거운 메탄올에 용해됩니다.
- Merck
- 2044 · 2044
- 안정성
- 습기에 민감한: 흡습성
- InChIKey
- UMCMPZBLKLEWAF-RFCNGIAKSA-N
- SMILES
- C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS([O-])(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
- Absorption
- Note:* Arbitrary scale ranges from ++ to -)
화학적 성질
White crystalline powder. CHAPS may be synthesized from cholic acid and is zwitterionic due to its quaternary ammonium and sulfonate groups; it is structurally similar to certain bile acids, such as taurodeoxycholic acid and taurochenodeoxycholic acid. It is sparingly soluble or insoluble in aqueous solution due to their native hydrophobicity.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.6% (1 of 181) of reports.
Warning
H315 (98.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 181 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information3-[(3-Cholamidopropyl)-dimethylammonio]-propane-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Amresco MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (98.3%)
안전 데이터
- wgk
- 3
- HS 번호
- 29239000
- risk_code
- 36/37/38-61
- hazard_code
- Xi,T
- safety_code
- 26-36-45-53
- F 고인화성물질
- 3-10
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.
용도 및 제조
UsesUsed as a non-denaturing biological detergent; [Merck Index]
응용 분야
용도CHAPS is a zwitterionic nondenaturing detergent for solubilizing membrane proteins. It is used in the laboratory to dissolve biological macromolecules such as proteins. It acts as a non-denaturing solvent used in purification of membrane proteins. It is also useful in conjunction with nonionic detergents like Triton X-100. Further, it is used as a non-denaturing zwitterionic detergent for membrane biochemistry.
일반 설명CHAPS is a stabilizing agent that can be used to prevent aggregation, precipitation or proteolysis of proteins in solution.
공급사100 곳
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
陕西德莱维特生物科技有限公司15780788769 18292741956 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
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武汉易泰科技有限公司上海分公司18930552037 · [email protected]
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阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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MedChemexpress LLC021-58955995 · [email protected]
南京美博生物科技有限公司025-58619198 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
唐山默内德贸易有限公司0315-8309571 15633399667 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
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赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Wuhan NCE Biomedical Co.,Ltd.4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
晟斯化工科技（上海）有限公司+86 13590492756 · [email protected]
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凯试（上海）科技有限公司021-50135380 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海壹科繁生物科技有限公司18221419461; 18221419461 · [email protected]
추가 설명
정의ChEBI: 3-[(3-cholamidopropyl)dimethylammonio]propane-1-sulfonate is a 1,1-diunsubstituted alkanesulfonate. It is functionally related to a cholic acid.
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