4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-[[(4S)-2-oxo-4-pyridin-4-yl-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl]oxolan-2-yl]pyrimidin-2-one

Base Information

Chemical Name:4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-[[(4S)-2-oxo-4-pyridin-4-yl-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl]oxolan-2-yl]pyrimidin-2-one
CAS No.:685111-92-6
Molecular Formula:C17H21N4O8P
Molecular Weight:440.34
Hs Code.:
DSSTox Substance ID:DTXSID00988172
ChEMBL ID:CHEMBL218922

4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-[[(4S)-2-oxo-4-pyridin-4-yl-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl]oxolan-2-yl]pyrimidin-2-one

Synonyms:4-amino-1-(5-O-(2-oxo-4-(4-pyridyl)-1,3,2-dioxaphosphorinan-2-yl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone;4-amino-1-(5-O-(2-oxo-4-(4-pyridyl)-1,3,2-dioxaphosphorinan-2-yl)arabinofuranosyl)-2(1H)-pyrimidinone;MB 07133;MB-07133;MB07133

Suppliers and Price of 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-[[(4S)-2-oxo-4-pyridin-4-yl-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl]oxolan-2-yl]pyrimidin-2-one

Supply Marketing:

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

Manufacturers and distributors:

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Chemicals and raw materials
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Total 8 raw suppliers

Chemical Property of 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-[[(4S)-2-oxo-4-pyridin-4-yl-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl]oxolan-2-yl]pyrimidin-2-one

Chemical Property:

PSA：179.05000
LogP:0.48500
XLogP3:-1.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:440.10970064
Heavy Atom Count:30
Complexity:758

Purity/Quality:: 99.0% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1COP(=O)(OC1C2=CC=NC=C2)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O
Isomeric SMILES:C1COP(=O)(O[C@@H]1C2=CC=NC=C2)OC[C@@H]3[C@H]([C@@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O
Recent ClinicalTrials:Safety and Tolerability of I.V. Infusion of MB07133 in Patients With Unresectable Hepatocellular Carcinoma

Technology Process of 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-[[(4S)-2-oxo-4-pyridin-4-yl-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl]oxolan-2-yl]pyrimidin-2-one

There total 12 articles about 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-[[(4S)-2-oxo-4-pyridin-4-yl-1,3,2lambda5-dioxaphosphinan-2-yl]oxymethyl]oxolan-2-yl]pyrimidin-2-one 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: 83.0%

: N'-{1-[3,4-bis-(tert-butyl-dimethyl-silanyloxy)-5-(2-oxo-4-pyridin-4-yl-2λ⁵-[1,3,2]dioxaphosphinan-2-yloxymethyl)-tetrahydro-furan-2-yl]-2-oxo-1,2-dihydro-pyrimidin-4-yl}-N,N-dimethyl-formamidine

: 685111-92-6
(4S)-5'-O-cis-[4-(pyridin-4yl)-2-oxido-1,3,2-dioxaphosphorinan-2yl]-cytosine-β-D-arabinofuranoside

Guidance literature:: With trifluoroacetic acid; at 60 ℃; for 16h;
DOI:10.1021/jm0607449

Reference yield: 48.0%

: 69-74-9,29363-79-9
cytarabine hydrochloride

: 685111-92-6
(4S)-5'-O-cis-[4-(pyridin-4yl)-2-oxido-1,3,2-dioxaphosphorinan-2yl]-cytosine-β-D-arabinofuranoside

Guidance literature:: (-)-(S)-1-(pyridin-4-yl)-1,3-propanediol; With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; trichlorophosphate; In pyridine; acetonitrile; at -17 - 42 ℃; for 3.6h;

cytarabine hydrochloride; In pyridine; acetonitrile; at 4 - 6 ℃; for 88h;

Reference yield: 26.0%

: (4S)-(-)-trans-(4-pyridyl)-2-chloro-2-oxo-1,3,2-dioxaphosphorinane

: 69-74-9,29363-79-9
cytarabine hydrochloride

: 685111-92-6
(4S)-5'-O-cis-[4-(pyridin-4yl)-2-oxido-1,3,2-dioxaphosphorinan-2yl]-cytosine-β-D-arabinofuranoside

Guidance literature:: (4S)-(-)-trans-(4-pyridyl)-2-chloro-2-oxo-1,3,2-dioxaphosphorinane; cytarabine hydrochloride; With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; In acetonitrile; at 20 - 35 ℃; for 48h;

With methanol; In acetonitrile; at 20 ℃; for 2h;