Antipain dihydrochloride 11004646001

Empirical Formula (Hill Notation):	C27H44N10O6 · 2 HCl
CAS Number:	37682-72-7
Molecular Weight:	677.62
MDL number:	MFCD00135957
PubChem Substance ID:	329749271

Antipain is a protease inhibitor isolated from actinomycetes. It inhibits thrombokinase and blood coagulation.
Concentrations for 50% inhibition (µg/ml):
papain, 0.16
trypsin, 0.26
cathepsin A, 1.19
cathepsin B, 0.59
cathepsin D, 125
plasmin, >93
chymotrypsin and pepsin, >250
It also has been reported to inhibit calpain I, (porcine) with Ki = 1.4 µM
Biochem/physiol Actions
Reversible inhibitor of serine/cysteine proteases and some trypsin-like serine proteases. Its action resembles leupeptin; however, its plasmin inhibition is less and its cathepsin A inhibition is more than that observed with leupeptin. Chronic administration of antipain can reduce the frequency of chemically induced transformation in BALB/c-/3T3 cells.
Formula variant
Formula: C27H44N10O6 x 2 HCl
Preparation Note
Working concentration: 50 µg/ml
Working solution: Soluble in water, methanol, or DMSO to 20 mg/ml. Sparingly soluble in ethanol, propanol, or butanol. Insoluble in benzene, chloroform (CHCl3), hexane, or petroleum and ethyl ethers.
Storage conditions (working solution): -15 to -25 °C
Dilute solutions should be stored frozen in aliquots at -15 to -25 °C. Growth of microorganisms and repeated freezing should be avoided. Stable for approximately one month.
Solubility testing at 50 mg/ml in water yields a clear to slightly hazy yellow solution. It is reportedly soluble in methanol, water, and DMSO; less soluble in ethanol, butanol, and propanol; insoluble in benzene, hexane, and chloroform.8 A stock solution in water or buffer is stable for about a month at -20 °C.
Dilute solutions should be stored on ice and kept for only a day because of the terminal aldehyde, which is subject to oxidation and racemization.
Reconstitution
Soluble in water, methanol, or DMSO to 20 mg/ml. Sparingly soluble in ethanol, propanol, or butanol. Insoluble in benzene, chloroform (CHCl3), hexane, or petroleum and ethyl ethers. Dilute solutions should be stored frozen in aliquots at -15 to -25 °C. Stable for approximately one month.
CAUTION: DMSO (Dimethyl sulfoxide) will permeate the skin, carrying solubilized protease inhibitors. Always wear appropriate protection for eyes, skin, etc.
For life science research only. Not for use in diagnostic procedures.

form	crystalline
Quality Level	100,
mol wt	Mr = 677.63
packaging	pkg of 10 mg
Торговая марка	Roche
mp	209-217 °C
solubility	DMSO: 20 mg/mL, methanol: 20 mg/mL, water: 20 mg/mL, benzene: insoluble, chloroform: insoluble, ethanol: sparingly soluble, hexane: insoluble
shipped in	wet ice
storage temp.	2-8°C
SMILES string	Cl[H].Cl[H].[H]C(=O)C(CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)NC(Cc1ccccc1)C(O)=O)C(C)C
InChI	1S/C27H44N10O6.2ClH/c1-16(2)21(23(40)34-18(15-38)10-6-12-32-25(28)29)37-22(39)19(11-7-13-33-26(30)31)35-27(43)36-20(24(41)42)14-17-8-4-3-5-9-17;;/h3-5,8-9,15-16,18-21H,6-7,10-14H2,1-2H3,(H,34,40)(H,37,39)(H,41,42)(H4,28,29,32)(H4,30,31,33)(H2,35,36,43);2*1H/t18?,19-,20?,21-;;/m0../s1
InChI key	YAHXZYICKJUJEO-BXLPLHKWSA-N

RIDADR	NONH for all modes of transport
WGK Germany	WGK 2
Flash Point F	Not applicable
Flash Point C	Not applicable