CAS No.157716-52-4,Perifosine (KRX-0401) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	157716-52-4
Name:	Perifosine (KRX-0401)
Article Data:	2

Formula:	C₂₅H₅₂NO₄P
Molecular Weight:	461.666
Synonyms:	(1,1-Dimethylpiperidin-1-ium-4-yl) octadecyl phosphate;4-((Hydroxy(octadecyloxy)phosphinyl)oxy)-1,1-dimethylpiperidinium inner salt;Piperidinium,4-[[hydroxy(octadecyloxy)phosphinyl]oxy]-1,1-dimethyl-, inner salt;
EINECS:	690-653-3
Melting Point:	271-272° (dec)
PSA:	68.40000
LogP:	8.01730

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Specification

1. Introduction of Perifosine
Perifosine is one kind of powder. The IUPAC name of this chemical is (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl phosphate. With the CAS registry number 157716-52-4, it is also named as 4-((Hydroxy(octadecyloxy)phosphinyl)oxy)-1,1-dimethylpiperidinium inner salt. What's more, it is a drug candidate being developed for a variety of cancer indications. Perifosine belongs to Intermediates & Fine Chemicals; Pharmaceuticals. Perifosine can soluble in organic solvents. The Perifosine is an alkylphospholipid.

2. Properties of Perifosine
Physical properties about Perifosine are:
(1)ACD/LogP: 5.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.2; (4)ACD/LogD (pH 7.4): 6.2; (5)ACD/BCF (pH 5.5): 42459.18; (6)ACD/BCF (pH 7.4): 42461.66; (7)ACD/KOC (pH 5.5): 105877.61; (8)ACD/KOC (pH 7.4): 105883.77; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 65.57 Å²; (13)Rotatable Bond Count: 20; (14)Exact Mass: 461.363396; (15)MonoIsotopic Mass: 461.363396; (16)Topological Polar Surface Area: 58.6; (17)Heavy Atom Count: 31; (18)Formal Charge: 0; (19)Complexity: 454.

3. Structure Descriptors of Perifosine
People can use the following data to convert to the molecule structure.
(1)SMILES:[O-]P(=O)(OCCCCCCCCCCCCCCCCCC)OC1CC[N+](C)(C)CC1
(2)InChI:InChI=1/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3
(3)InChIKey:SZFPYBIJACMNJV-UHFFFAOYAX
(4)Std. InChI:InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3
(5)Std. InChIKey:SZFPYBIJACMNJV-UHFFFAOYSA-N

4. Uses of Perifosine
Perifosine acts as an Akt inhibitor and a PI3K inhibitor. It is a antineoplastic. Perifosine is a drug candidate being developed for a variety of cancer indications.