CAS No.183506-66-3,APICIDIN Suppliers

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Basic Information

Molecular Structure:
CAS No.:	183506-66-3
Name:	APICIDIN
Article Data:	1

Formula:	C₃₄H₄₉N₅O₆
Molecular Weight:	623.793
Synonyms:	OSI 2040;Cyclo(8-oxo-L-2-aminodecanoyl-1-methoxy-L-tryptophyl-L-isoleucyl-D-2-piperidinecarbonyl);Apicidin Ia;Cyclo-[L-(2-amino-8-oxodecanoyl)-L-(N-methoxytryptophan)-L-isoleucyl-D-pipecolinyl;(3S,6S,9S,15aR)-6-[(1-Methoxy-1H-indol-3-yl)methyl]-9-[(1S)-1-methylpropyl]-3-(6-oxooctyl)octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone;Apicidin;Ccris 9163;
Density:	1.27g/cm³
Appearance:	Solid
Hazard Symbols:	T+
Risk Codes:	26/27/28
Safety:	22-26-36/37/39-45
PSA:	138.84000
LogP:	4.12130

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Specification

The Cyclo[(2S)-2-amino-8-oxodecanoyl-1-methoxy-L-tryptophyl-L-isoleucyl-(2R)-2-piperidinecarbonyl], with the CAS registry number 183506-66-3, is also known as Cyclo-[L-(2-amino-8-oxodecanoyl)-L-(N-methoxytryptophan)-L-isoleucyl-D-pipecolinyl. This chemical's molecular formula is C₃₄H₄₉N₅O₆ and molecular weight is 623.78. What's more, its systematic name is (3S,6S,9S,15aR)-6-[(1-Methoxy-1H-indol-3-yl)methyl]-9-[(1S)-1-methylpropyl]-3-(6-oxooctyl)octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone. The product should be stored at the temperature of -20 °C.

Physical properties of Cyclo[(2S)-2-amino-8-oxodecanoyl-1-methoxy-L-tryptophyl-L-isoleucyl-(2R)-2-piperidinecarbonyl] are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 77.32; (6)ACD/BCF (pH 7.4): 77.32; (7)ACD/KOC (pH 5.5): 782.05; (8)ACD/KOC (pH 7.4): 782.05; (9)#H bond acceptors: 11; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 112.47 Å²; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 171.03 cm³; (15)Molar Volume: 489.8 cm³; (16)Polarizability: 67.8×10^-24cm³; (17)Surface Tension: 48.5 dyne/cm.

When you are using this chemical, please be cautious about it as the following:
It is very toxic by inhalation, in contact with skin and if swallowed, so you can't breathe dust. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C)C1C(=O)N2CCCCC2C(=O)NC(C(=O)NC(C(=O)N1)CC3=CN(C4=CC=CC=C43)OC)
CCCCCC(=O)CC
(2)InChI: InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,26-,27-,29+,30-/m0/s1
(3)InChIKey: JWOGUUIOCYMBPV-LQJYRIKDSA-N