Lexibulin

Base Information

Chemical Name:Lexibulin
CAS No.:917111-44-5
Molecular Formula:C24H30N6O2
Molecular Weight:434.541
Hs Code.:
UNII:2GTU230HA1
ChEMBL ID:CHEMBL552212
DSSTox Substance ID:DTXSID10238675
NCI Thesaurus Code:C77882
Nikkaji Number:J3.276.253K
Wikidata:Q27166766
Mol file:917111-44-5.mol

Synonyms:CYT997

Suppliers and Price of Lexibulin

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

DC Chemicals
lexibulin(CYT997) >98%
250 mg
$ 950.00

Crysdot
Lexibulin 98+%
50mg
$ 550.00

Crysdot
Lexibulin 98+%
25mg
$ 280.00

ChemScene
Lexibulin 98.08%
10mg
$ 204.00

ChemScene
Lexibulin 98.08%
5mg
$ 114.00

ChemScene
Lexibulin 98.08%
50mg
$ 732.00

Chemenu
N-Ethyl-N''-[2-methoxy-4-[5-methyl-4-[[(1S)-1-(3-pyridinyl)butyl]amino]-2-pyrimidinyl]phenyl]urea 98%
50mg
$ 548.00

Chemenu
N-Ethyl-N''-[2-methoxy-4-[5-methyl-4-[[(1S)-1-(3-pyridinyl)butyl]amino]-2-pyrimidinyl]phenyl]urea 98%
10mg
$ 166.00

Cayman Chemical
CYT997 ≥98%
1mg
$ 39.00

Cayman Chemical
CYT997 ≥98%
5mg
$ 171.00

Total 26 raw suppliers

Chemical Property of Lexibulin

Chemical Property:

Boiling Point:546.9±50.0 °C(Predicted)
PKA:14.01±0.70(Predicted)
PSA：107.78000
Density:1.195
LogP:5.03970
XLogP3:3.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:434.24302422
Heavy Atom Count:32
Complexity:565

Purity/Quality:

99%, ^*data from raw suppliers

lexibulin(CYT997) >98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC(C1=CN=CC=C1)NC2=NC(=NC=C2C)C3=CC(=C(C=C3)NC(=O)NCC)OC
Isomeric SMILES:CCC[C@@H](C1=CN=CC=C1)NC2=NC(=NC=C2C)C3=CC(=C(C=C3)NC(=O)NCC)OC
Recent ClinicalTrials:Efficacy Study of CYT997 in Multiple Myeloma

Technology Process of Lexibulin

There total 1 articles about Lexibulin which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 60.0%

: 854074-39-8
2-chloro-5-methyl-N-[(1S)-1-pyridin-3-ylbutyl]pyrimidin-4-amine

: 917111-46-7
1-ethyl-3-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenyl]urea

: 917111-44-5
(S)-1-ethyl-3-(2-methoxy-4-(5-methyl-4-((1-(pyridin-3-yl)butyl)amino)pyrimidin-2-yl)phenyl)urea

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In propan-1-ol; water; toluene; at 100 ℃; for 44h; Inert atmosphere;
DOI:10.1016/j.bmcl.2009.06.079