3-((3-Cholamidopropyl)dimethylammonio)-2-hydroxy-1-propanesulfonate (HCID 122145)

名称と識別子

優先名称: 3-((3-Cholamidopropyl)dimethylammonio)-2-hydroxy-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]-2-hydroxypropane-1-sulfonate
現地名: チャプソ
英語名: Chapso
分子式: C32H58N2O8S
分子量: 630.88

名称と別名

chapso82473-24-33-[(3-Cholamidopropyl)dimethylammonio]-2-hydroxy-1-propanesulfonateV9N9RGA14M3-((3-cholamidopropyl)dimethylammonio)-2-hydroxy-1-propanesulfonate3-((3-Cholamidopropyl)dimethylammonio)-2-hydroxy-1-propane sulfonateRefChem:919931-PROPANAMINIUM, 2-HYDROXY-N,N-DIMETHYL-3-SULFO-N-(3-(((3ALPHA,5BETA,7ALPHA,12ALPHA)-3,7,12-TRIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)PROPYL)-, INNER SALT617-338-5MFCD000810793-[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]-2-hydroxypropane-1-sulfonate(2-hydroxy-3-sulfopropyl)-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]azanium

名称をさらに表示

チャプソ3-({3-[(4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-トリヒドロキシ-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]ペンタンアミド]プロピル}ジメチルアザニウミル)-2-ヒドロキシプロパン-1-スルホナートN,N-ジメチル-N-(2-ヒドロキシ-3-スルホナトプロピル)-3-[(3α,7α,12α-トリヒドロキシ-24-オキソ-5β-コラン-24-イル)アミノ]-1-プロパンアミニウムHydroxy analogCHAPSO extrapureCHAPSO detergentCHAPSO SIGMAULTRACHAPSO,ELECTROPHORESISGRADECHAPSO 96% For BiochemistryCHAPSO Buffer extrapure, 99%CHAPSO ELECTROPHORESIS REAGENT

3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,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]-2-hydroxypropane-1-sulfonateUNII-V9N9RGA14MC32H58N2O8SCHAPSO, BioXtraSCHEMBL594591orb2308659orb2900242CHAPSO, >=98%

データベース識別子

CAS: 82473-24-3
PubChem CID: 122145
DTXSID: DTXSID901002705
UNII: V9N9RGA14M
EC Number: 617-338-5
Nikkaji: J725.177G

物性

構造計算による物性

XLogP: 1.9
極性表面積: 176 Å²
水素結合供与体数: 5
水素結合受容体数: 8
回転可能結合数: 11
重原子数: 43
形式電荷: 0
複雑度: 1,070

物理化学的性質

融点: 184 · 184-186 °C(lit.)
比重(密度): 1.0453 · 1.0453 (rough estimate)
屈折率: 1.69 · 1.6900 (estimate)
貯蔵温度: -20 °C · -20°C
溶解性: 2 O: · H2O: 10mg/mL at20℃ 無色透明
外見: 白い固体
色: 白色結晶
臭い (Odor): 無臭
水溶解度: 20 °C · 20 °C で 10 g/l
Merck: 13 · 13,2052
BRN: 5842642 · 5842642
InChIKey: GUQQBLRVXOUDTN-PPDWFABINA-N
SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@]([H])(CC[C@@]4([H])[C@]3([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCC[N+](C)(C)CC(O)CS([O-])(=O)=O
CAS データベース: 82473 · 82473-24-3(CAS DataBase Reference)

化学的性質

化学的特性Chapso is a white crystalline powder. It is a zwitterionic detergent similar to Chaps, however, Chapso is more soluble and particularly better for the solubilization of integral membrane proteins.

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 51 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 1 件

1-Propanaminium, 2-hydroxy-N,N-dimethyl-3-sulfo-N-3-(3.alpha.,5.beta.,7.alpha.,12.alpha.)-3,7,12-trihydroxy-24-oxocholan-24-ylaminopropyl-, inner salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (98%)；Eye Irrit. 2 (98%)；STOT SE 3 (98%)

法規制情報

Regulatory Information · 1 件

1-Propanaminium, 2-hydroxy-N,N-dimethyl-3-sulfo-N-3-(3.alpha.,5.beta.,7.alpha.,12.alpha.)-3,7,12-trihydroxy-24-oxocholan-24-ylaminopropyl-, inner salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

F: 3-10
wgk: 3
hs_code: 2924297099
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

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.

応用分野

使用Chapso is a nondenaturing biological detergent with characteristics similar to CHAPS, although it is more soluble due to a more polar head group. Useful for the solubilization of integral membrane proteins.

一般的な説明CHAPSO is a non-denaturing zwitterionic bile salt derivative, derived from Chaps by the addition of a functional hydroxyl group.

調製方法 · 1 件

純化方法Dissolve this zwitterionic detergent (~ 60g) in 40% aqueous MeOH and stir it with the mixed-bed ion-exchange resin RG-501 x 8 (100g, Bio-Rad) until the pH of the supernatant is ~ 7. Filter off the resin and evaporate the filtrate to dryness under reduced pressure. Check for homogeneity by TLC on silica gel G in 95% MeOH/5% NH4OH and visualize the spot with iodine vapour (see CHAPS above). [Hjelmeland et al. Anal Biochem 130 72 1983, Matuo et al. Methods Enzymol 198 155 1991.]

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

湖南腾峪新材料有限公司1822-9738810 18229738810 · [email protected]

チャプソ

基本情報