Physicochemical Properties
| Molecular Formula | C32H58N2O7S |
| Molecular Weight | 614.8771 |
| Exact Mass | 614.396 |
| CAS # | 75621-03-3 |
| Related CAS # | CHAPS hydrate;331717-45-4 |
| PubChem CID | 107670 |
| Appearance | White to off-white solid powder |
| Density | 1.01 g/mL at 20ºC |
| Melting Point | 156-158ºC |
| Index of Refraction | 1.6900 (estimate) |
| LogP | -4.32 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Heavy Atom Count | 42 |
| Complexity | 1030 |
| Defined Atom Stereocenter Count | 11 |
| 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 |
| InChi Key | UMCMPZBLKLEWAF-BCTGSCMUSA-N |
| InChi Code | 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 |
| Chemical 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 |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| ln Vitro | CHAPS (0.5 %) can maintain the complex between DNA and DNA-binding factors (such as AP-1, SPI, GATA-1 and alpha regulatory factor ISGF3) and retain its biological activity [2]. CHAPS suppresses mononucleosome dissociation at subnanomolar doses of cytokines [2]. |
| References |
[1]. Thermodynamic characterization of 3-[(3-cholamidopropyl)-dimethylammonium]-1-propanesulfonate (CHAPS) micellization using isothermal titration calorimetry: temperature, salt, and pH dependence. Langmuir. 2012 Jul 17;28(28):10363-71. [2]. Nucleosomes structure and dynamics: effect of CHAPS. Int J Biochem Mol Biol. 2011;2(2):129-137. |
| Additional Infomation | 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. |
Solubility Data
| Solubility (In Vitro) | H2O : ~83.33 mg/mL (~135.52 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 10 mg/mL (16.26 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6263 mL | 8.1317 mL | 16.2633 mL | |
| 5 mM | 0.3253 mL | 1.6263 mL | 3.2527 mL | |
| 10 mM | 0.1626 mL | 0.8132 mL | 1.6263 mL |