CHAPS solution - ~100 mM in H2O , CAS No.75621-03-3

CAS: 75621-03-3 Cat. No.: C433625 分子式: C₃₂H₅₈N₂O₇S 分子量: 614.88 EC番号: 616-246-2

GRADE & PURITY ~100 mM in H2O

Synonyms

1-Propanaminium, N,N-dimethyl-N-(3-sulfopropyl)-3-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-, hydroxide, inner salt | A865651 | QBP25342AG | 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulphonate | 3-((3-Cholamidoprop

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

3-[(3-cholamidopropyl) dimethylammonio]-1-propanesulfonate (CHAPS) is a biocompatible surfactant. It is a derivative of cholic acid comprising a hydrophobic cholesterol-like skeleton possessing three hydroxyl groups and a zwitterionic aliphatic tail.

Application：

CHAPS 100 mM solution has been used as a component of lysis buffer for the extraction of proteins from goat endometrial epithelial cells (EECs) and liver tissue.

Specifications

同義語

1-Propanaminium, N,N-dimethyl-N-(3-sulfopropyl)-3-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-, hydroxide, inner salt | A865651 | QBP25342AG | 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulphonate | 3-((3-Cholamidoprop

仕様と純度

~100 mM in H2O

生化学的・生理学的メカニズム

3-[(3-cholamidopropyl) dimethylammonio]-1-propanesulfonate (CHAPS) exhibits the properties of both sulfobetaine-type surfactants and bile salts. It is involved in the protein extraction process for proteomic analysis and reconstitution of membrane protein

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

パブケム・シド

528763731

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528763731

カノニカル・スマイル

CC(CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

IUPAC Name

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

InChIKey

UMCMPZBLKLEWAF-BCTGSCMUSA-N

INCHI

1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21-,22+,23-,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1

異性体SMILES

C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

WGKドイツ

3

分子量

614.88

Reaxy-Rn

32174087

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32174087&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Steroids and steroid derivatives
      • Subclass Bile acids, alcohols and derivatives
        • Level5 Hydroxy bile acids, alcohols and derivatives
          • Level6 Trihydroxy bile acids, alcohols and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Steroids and steroid derivatives
• Subclass: Bile acids, alcohols and derivatives
• Intermediate Tree Nodes: Hydroxy bile acids, alcohols and derivatives
• Direct Parent: Trihydroxy bile acids, alcohols and derivatives
• Alternative Parents: 12-hydroxysteroids 3-alpha-hydroxysteroids 7-hydroxysteroids Tetraalkylammonium salts Sulfonyls Organosulfonic acids Alkanesulfonic acids Secondary alcohols Cyclic alcohols and derivatives Propargyl-type 1,3-dipolar organic compounds Polyols Carboximidic acids Hydrocarbon derivatives Amines Organic oxides Organic salts Organic zwitterions Organopnictogen compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Trihydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - 12-hydroxysteroid - Hydroxysteroid - 3-alpha-hydroxysteroid - 7-hydroxysteroid - Cyclic alcohol - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tetraalkylammonium salt - Alkanesulfonic acid - Secondary alcohol - Carboximidic acid derivative - Carboximidic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Polyol - Organic salt - Alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - Amine - Aliphatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups.
• External Descriptors: 1,1-diunsubstituted alkanesulfonate

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 156-158℃
• 分子量: 614.900 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 614.396 Da
• Monoisotopic Mass: 614.396 Da
• Topological Polar Surface Area: 155.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 1030.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 11
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1