CAS No.50-57-7,Lypressin Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	50-57-7
Name:	Lypressin

Formula:	C₄₆H₆₅N₁₃O₁₂S₂
Molecular Weight:	1056.23
Synonyms:	1,2-Dithia-5,8,11,14,17-pentaazacycloeicosane-10-propionamide,19-amino-4-[2-[[5-amino-1-[(carbamoylmethyl)carbamoyl]pentyl]carbamoyl]-1-pyrrolidinylcarbonyl]-13-benzyl-7-(carbamoylmethyl)-16-p-hydroxybenzyl-6,9,12,15,18-pentaoxo-(6CI);3-(Phenylalanine)-8-lysine oxytocin;8-L-Lysine vasopressin;Diapid;L-Lysinevasopressin;Lysine pitressin;Lysine vasopressin;Lysine-ADH;Lysylvasopressin;Oxytocin,3-(L-phenylalanine)-8-L-lysine-;Postacton;Syntopressin;Vasophysin;Vasopressin-8-lysine;[8-Lysine]vasopressin;Vasopressin,8-L-lysine-;
EINECS:	200-050-5
Density:	1.31 g/cm³
Boiling Point:	1610.4 °C at 760 mmHg
Flash Point:	927.7 °C
Appearance:	White powder
Hazard Symbols:	Xn
Risk Codes:	20
Safety:	36
PSA:	476.15000
LogP:	1.53610

Synthetic route

: 50-57-7
lyspressin

A: 63-91-2
L-phenylalanine

B: 60-18-4
L-tyrosine

Conditions

Conditions	Yield
With blood serum of pregnant women In water at 37℃; for 1h; Kinetics; other pH, other time, other length of pregnancy;

: 2,5-dioxopyrrolidin-1-yl 8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-10-yne-4-carboxylate

: 50-57-7
lyspressin

: C63H73N11O17S2

Conditions

Conditions	Yield
In methanol; water at 20℃; for 24h; Concentration; Inert atmosphere;

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Specification

1. Introduction of Lypressin
Lypressin is one kind of white powder. The IUPAC Name of this chemical is N-[6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]-1-[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide. Besides, Lypressin belongs to Amino Acid Derivatives; Peptide. Additionally, its classification codes are Antidiuretic; Antidiuretic Agents; Cardiovascular Agents; Coagulants; Drug / Therapeutic Agent; Hematologic Agents; Natriuretic Agents; Reproductive Effect; Vasoconstrictor agents. Lypressin can soluble in water. Lypressin is also soluble in 1% Acetic Acid.

2. Properties of Lypressin
Physical properties about Lypressin are:
(1)ACD/LogP: -5.74; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -9.39; (4)ACD/LogD (pH 7.4): -8.85; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 25; (10)#H bond donors: 18; (11)#Freely Rotating Bonds: 22; (12)Polar Surface Area: 289.72 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 268.35 cm³; (15)Molar Volume: 805.7 cm³; (16)Polarizability: 106.38×10^-24cm³; (17)Surface Tension: 57 dyne/cm; (18)Density: 1.31 g/cm³; (19)Flash Point: 927.7 °C; (20)Enthalpy of Vaporization: 261.29 kJ/mol; (21)Boiling Point: 1610.4 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

3. Structure Descriptors of Lypressin
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)CNC(=O)[C@@H](NC(=O)[C@H]4N(C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CSSC1)Cc2ccc(O)cc2)Cc3ccccc3)CCC(=O)N)CC(=O)N)CCC4)CCCCN
(2)InChI: InChI=1/C46H65N13O12S2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1
(3)InChIKey: BJFIDCADFRDPIO-DZCXQCEKBC
(4)Canonical SMILES : C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCCN)C(=O)NCC(=O)N

4. Safety information of Lypressin
Hazard Codes: Xn
Risk Statements: 20
20: Harmful by inhalation.
Safety Statements: 36
36: Wear suitable protective clothing.
WGK Germany: 3
RTECS: YW8659000
When you are using this chemical, please be cautious about it as the following: This chemical is harmful by inhalation. Please wear suitable protective clothing if you use it.

5. Uses of Lypressin
Lypressin is a cyclic nonapeptide that differs from arg-vasopressin by one amino acid, containing an lysine at residue 8 instead of an arginine. Lypressin is used to treat diabetes insipidus or to improve vasomotor tone and blood pressure.