CAS No.66701-25-5,(L-3-TRANS-CARBOXYOXIRANE-2-CARBONYL)-L-LEUCYLAGMATINE HEMIHYDRATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	66701-25-5
Name:	(L-3-TRANS-CARBOXYOXIRANE-2-CARBONYL)-L-LEUCYLAGMATINE HEMIHYDRATE

Formula:	C₁₅H₂₇N₅O₅
Molecular Weight:	357.41
Synonyms:	Oxiranecarboxylicacid, 3-[[[(1S)-1-[[[4-[(aminoiminomethyl)amino]butyl]amino]carbonyl]-3-methylbutyl]amino]carbonyl]-,(2S,3S)- (9CI);Oxiranecarboxylic acid,3-[[[1-[[[4-[(aminoiminomethyl)amino]butyl]amino]carbonyl]-3-methylbutyl]amino]carbonyl]-,[2S-[2a,3b(R*)]]-;E 64;E 64 (proteinase inhibitor);Proteinaseinhibitor E 64;trans-Epoxysuccinyl-L-leucylamido-(4-guanidino)butane;trans-Epoxysuccinyl-L-leucylamido(4-guanidino)butane; N-(trans-Epoxysuccinyl)-L-leucine 4-guanidinobutylamide;
EINECS:	613-978-4
Density:	1.446 g/cm³
Melting Point:	182 °C
Solubility:	H₂O: 20 mg/mL, clear, colorless
Appearance:	white solid
Risk Codes:	R68/20/22
Safety:	22-24/25
PSA:	169.93000
LogP:	0.72150

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Specification

The Proteinase inhibitor E 64, with the CAS registry number 66701-25-5, is also known as trans-Epoxysuccinyl-L-leucylamido-(4-guanidino)butane. It belongs to the product categories of Pepetides; Protease Inhibitors. This chemical's molecular formula is C₁₅H₂₇N₅O₅ and molecular weight is 357.41. What's more, its systematic name is (2S,3S)-3-{[(2S)-1-({4-[(Diaminomethylene)amino]butyl}amino)-4-methyl-1-oxo-2-pentanyl]carbamoyl}-2-oxiranecarboxylic acid. Its classification codes are: (1)Anti-Infective Agents; (2)Antimalarials; (3)Antiparasitic Agents; (4)Antiprotozoal Agents; (5)Cysteine proteinase inhibitors; (6)Enzyme Inhibitors; (7)Protease Inhibitors; (8)Reproductive Effect. You should not breathe dust. When using it, you must avoid contact with skin and eyes. The product should be sealed and stored in containers with dry inert gas which are placed in cooland dry places. Moreover, it should be protected from strong acids and strong base. This substance is an epoxide which can irreversibly inhibit a wide range of cysteine peptidases.

Physical properties of Proteinase inhibitor E 64 are: (1)ACD/LogP: 0.088; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -2.41; (4)ACD/LogD (pH 7.4): -2.41; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 10; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 172.43 Å²; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 86.545 cm³; (15)Molar Volume: 247.123 cm³; (16)Polarizability: 34.309×10^-24cm³; (17)Surface Tension: 57.0 dyne/cm; (18)Density: 1.446 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@H](C(=O)NCCCC/N=C(\N)N)CC(C)C)[C@H]1O[C@@H]1C(=O)O
(2)Std. InChI: InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
(3)Std. InChIKey: LTLYEAJONXGNFG-DCAQKATOSA-N