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Ilmofosine , CAS No.83519-04-4

COA COA
  • Cas Number:  83519-04-4
  • Molecular Weight:  525.77
  • Beilstein Registry Number:   4767637
  • PubChem CID: 55008
In stock
Item Number
I339713
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SKU Size
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I339713-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$142.90
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a PKC inhibitor with efficacy against a variety of cancer cell lines

View related series
Histone Modification (1379) Parasite (997)

Basic Description

Synonyms D04504 | SCHEMBL48829 | SH-MM-lysolecithin | [2-(hexadecylsulfanylmethyl)-3-methoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate | NCGC00165808-01 | NSC601679 | NSC-601679 | BM 41440 | (+-)-Ilmofosine | Q27263125 | Ilmofosina | ILMOFOSINE | Ilmofosine (US
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

Ilmofosine is a PKC inhibitor with antineoplastic activity with an IC|50|value of 560 nM. It acts as a competitive inhibitor at the regulatory site of PKC. Ilmofosine has efficacy against various human non-small cell lung, breast, colorectal, ovarian, and renal cell cancers at concentrations of 1-30 μg/mL.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic nitrogen compounds
Class Organonitrogen compounds
Subclass Quaternary ammonium salts
Intermediate Tree Nodes Cholines
Direct Parent Phosphocholines
Alternative Parents Dialkyl phosphates  Tetraalkylammonium salts  Sulfenyl compounds  Dialkylthioethers  Dialkyl ethers  Organopnictogen compounds  Organic salts  Organic oxides  Hydrocarbon derivatives  Amines  
Molecular Framework Aliphatic acyclic compounds
Substituents Phosphocholine - Dialkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Tetraalkylammonium salt - Dialkyl ether - Ether - Dialkylthioether - Sulfenyl compound - Thioether - Amine - Organic salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aliphatic acyclic compound
Description This compound belongs to the class of organic compounds known as phosphocholines. These are compounds containing a [2-(trimethylazaniumyl)ethoxy]phosphonic acid or derivative.
External Descriptors Not available

Product Properties

pKa pKa: 1.23

Associated Targets(Human)

A-427 (643 Activities)
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A498 (42825 Activities)
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CAKI-1 (44928 Activities)
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CCRF-CEM (65223 Activities)
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COLO 205 (50209 Activities)
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DLD-1 (17511 Activities)
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DMS-273 (14108 Activities)
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HL-60 (67320 Activities)
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HT-29 (80576 Activities)
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K562 (73714 Activities)
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KM12 (47707 Activities)
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MCF7 (126967 Activities)
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MOLT-4 (49676 Activities)
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OVCAR-3 (48710 Activities)
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OVCAR-4 (44535 Activities)
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OVCAR-5 (45555 Activities)
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OVCAR-8 (47708 Activities)
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RPMI-8226 (44974 Activities)
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RXF 393 (41971 Activities)
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SF-295 (48000 Activities)
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SK-MEL-2 (46422 Activities)
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SK-MEL-28 (48833 Activities)
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SK-MEL-5 (47095 Activities)
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SK-OV-3 (52876 Activities)
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SN12C (47755 Activities)
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SNB-19 (46794 Activities)
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SNB-78 (14240 Activities)
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U-251 (51189 Activities)
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UACC-257 (46019 Activities)
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UACC-62 (47335 Activities)
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UO-31 (46270 Activities)
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XF498 (12972 Activities)
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A549 (127892 Activities)
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NCI/ADR-RES (33767 Activities)
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EKVX (44102 Activities)
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NCI-H322M (45589 Activities)
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HCC 2998 (41480 Activities)
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HCT-116 (91556 Activities)
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HOP-18 (11577 Activities)
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HOP-92 (41141 Activities)
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NCI-H460 (60772 Activities)
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SF-268 (49410 Activities)
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IGROV-1 (47897 Activities)
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LOX IMVI (44321 Activities)
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HOP-62 (47048 Activities)
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M19-MEL (15326 Activities)
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Malme-3M (44254 Activities)
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SNB-75 (44215 Activities)
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NCI-H226 (44470 Activities)
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NCI-H23 (49055 Activities)
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Associated Targets(non-human)

P388 (20296 Activities)
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P388/ADR (1216 Activities)
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RBL-2H3 (1162 Activities)
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Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name [2-(hexadecylsulfanylmethyl)-3-methoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
INCHI InChI=1S/C26H56NO5PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-34-25-26(23-30-5)24-32-33(28,29)31-21-20-27(2,3)4/h26H,6-25H2,1-5H3
InChIKey ODEDPKNSRBCSDO-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCSCC(COC)COP(=O)([O-])OCC[N+](C)(C)C
Isomeric SMILES CCCCCCCCCCCCCCCCSCC(COC)COP(=O)([O-])OCC[N+](C)(C)C
WGK Germany 3
RTECS JH4758000
UN Number 2811
Packing Group III
Molecular Weight 525.77
Beilstein 4767637
Reaxy-Rn 4767637
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4767637&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Solubility Soluble in water (10 mg/ml).
Molecular Weight 525.800 g/mol
XLogP3 7.500
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 26
Exact Mass 525.362 Da
Monoisotopic Mass 525.362 Da
Topological Polar Surface Area 93.100 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 482.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

Reviews

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