CAS No.108736-35-2,Lanreotide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	108736-35-2
Name:	Lanreotide
Article Data:	4

Formula:	C₅₄H₆₉N₁₁O₁₀S₂
Molecular Weight:	1096.34
Synonyms:	1,2-Dithia-5,8,11,14,17-pentaazacycloeicosane,cyclic peptide deriv.;1: PN: WO0006185 PAGE: 8 claimed protein;2: PN:EP1118336 SEQID: 2 claimed protein;37: PN: WO0198330 PAGE: 15 unclaimedsequence;3: PN: WO0006185 PAGE: 8 claimed protein;48: PN: US6268342 SEQID: 53claimed protein;Angiopeptin;Autogel;BIM 23014;DC 13-116;Ipstyl;L-Autogel;Lanreotide;Lanreotide Autogel;Somatulin-Autogel;Somatuline Depot;
EINECS:	689-178-4
Density:	1.323 g/cm³
Boiling Point:	1498.3 °C at 760 mmHg
Flash Point:	859.9 °C
PSA:	405.68000
LogP:	5.34830

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Specification

This chemical is called Lanreotide, and it can also be named as Ipstyl. With the CAS number of 108736-35-2, its IUPAC name is 10-(4-aminobutyl)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-19-[(2-amino-3-naphthalen-2-ylpropanoyl)amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide. The molecular formula of this chemical is C₅₄H₆₉N₁₁O₁₀S₂, and it is a white to off-white lyophilised powder. In addition, it's often used as Antineoplastic Agent.

Other characteristics can be summarised as following: (1)ACD/LogP: 4.73; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.21; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 4.67; (9)#H bond acceptors: 21; (10)#H bond donors: 16; (11)#Freely Rotating Bonds: 35; (12)Polar Surface Area: 432.68 Å²; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 299.41 cm³; (15)Molar Volume: 829.8 cm³; (16)Polarizability: 118.69×10^-24cm³; (17)Surface Tension: 63.4 dyne/cm; (18)Density: 1.323 g/cm³; (19)Flash Point: 859.9 °C; (20)Enthalpy of Vaporization: 241.75 kJ/mol; (21)Boiling Point: 1498.3 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of this chemical: The Lanreotide is often used as tumour inhibitor to treat acromegaly, and the mechanism of this chemical is to inhibit or prevent the proliferation of neoplasms. Additionally, it is a somatostatin analogue that suppresses GH/IGF-I hypersecretion in acromegaly patients and used to manage neuroendocrine tumours.

You can still convert the following datas into molecular structure:
1.SMILES: NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](N)Cc2cc3ccccc3cc2)Cc5cnc4ccccc45)C(C)C)C(C)O
2.InChI: InChI=1/C54H71N11O10S2/c1-29(2)45(54(75)63-44(28-77)53(74)65-46(30(3)66)47(57)68)64-49(70)40(14-8-9-21-55)59-51(72)42(25-35-26-58-39-13-7-6-12-37(35)39)61-50(71)41(24-31-16-19-36(67)20-17-31)60-52(73)43(27-76)62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67,76-77H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30?,38-,40+,41+,42-,43+,44+,45+,46+/m1/s1
3.InChIKey: UGVPPRZHXAMSJP-YAHCPHPJBM