チャプソ
3-((3-Cholamidopropyl)dimethylammonio)-2-hydroxy-1-propanesulfonate
基本情報
- CAS
82473-24-3- 標準SMILES
C[C@H](CCC(=O)NCCC[N+](C)(C)CC(O)CS(=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
GUQQBLRVXOUDTN-XOHPMCGNSA-N- 分子式
- C32H58N2O8S
- 平均分子量
- 630.9 g/mol
- 単同位体質量
- 630.39138799
概要
RN given refers to (3alpha,5beta,7alpha,12alpha)-isomer
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 Ų
- 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
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (98%): 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 51 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
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%)
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
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
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.]
関連反応
2 件
化合物ノート
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