Name: Cidofovir
SKU: 113852-37-2

Products Categories

Pharmaceutical (84)
Organic Chemicals (15)
Others (14)
Materials (2)
Reagent (1)
Synthetic Flavours & Fragrances (1)
Plant Extract (1)
Dyestuff and Pigment (1)

Basic Information

Molecular Structure:
CAS No.:	113852-37-2
Name:	Cidofovir

Formula:	C₈H₁₄N₃O₆P
Molecular Weight:	279.189
Synonyms:	Phosphonicacid, [[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-(9CI);Phosphonic acid,[[2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-, (S)-;(S)-1-(3-hydroxy-2-phosphonomethoxypropyl)cytosine;(S)-HPMPC;1-(S)-(3-Hydroxy-2-phosphonylmethoxypropyl)cytosine;1-[(S)-3-Hydroxy-2-(phosphonomethoxy)propyl]cytosine;Cidovir;GS 0504;HPMPC;Vistide;
EINECS:	638-807-0
Density:	1.76 g/cm³
Melting Point:	260 °C
Boiling Point:	609.5 °C at 760 mmHg
Flash Point:	322.4 °C
Appearance:	fluffy white powder
Hazard Symbols:	T
Risk Codes:	25-38
Safety:	36-37-45
PSA:	157.71000
LogP:	-1.08060

Synthetic route

: 120362-35-8
(S)-1-<3-Hydroxy-2-<(diethylphosphonyl)methoxy>propyl>cytosine

: 113852-37-2
cidofovir

Conditions

Conditions	Yield
With trimethylsilyl bromide In acetonitrile for 14h; Ambient temperature;	95%
With trimethylsilyl bromide	80%

: 132336-37-9
N4-benzoyl-1-(S)-(3-hydroxy-2-phosphonomethoxypropyl)cytosine

: 113852-37-2
cidofovir

Conditions

Conditions	Yield
With ammonium hydroxide at 20℃; for 3h;	80%
With ammonium hydroxide for 4h; Ambient temperature; Yield given;

: C10H16N3O7P

: 113852-37-2
cidofovir

Conditions

Conditions	Yield
With ammonium hydroxide at 20℃; for 3h;	71%

: 18002-25-0
4-methoxy-2-pyrimidone

: 141110-74-9
(R)-2--3-ytimethylacetyl-1,2,3-propanetriol 1-p-toluenesulfonate

: 113852-37-2
cidofovir

Conditions

Conditions	Yield
Yield given. Multistep reaction;

: 71-30-7
Cytosine

: 141110-74-9
(R)-2--3-ytimethylacetyl-1,2,3-propanetriol 1-p-toluenesulfonate

: 113852-37-2
cidofovir

Conditions

Conditions	Yield
With trimethylsilyl bromide; caesium carbonate 1.) DMFA, 100 deg C, 72 h, 2.) CH3CN, RT, 24 h; Yield given. Multistep reaction;

: 148873-52-3
bis(2-propyl) N4-benzoyl-1-(S)-(2-phosphonomethoxy-3-triphenylmethoxypropyl)cytosine

: 113852-37-2
cidofovir

Conditions

Conditions	Yield
With trimethylsilyl bromide; sodium methylate 1.) CH3CN, overnight, 2.) CH3OH, RT, overnight; Yield given. Multistep reaction;

: 148873-53-4
bis(2-propyl) 1-(S)-(3-hydroxy-2-phosphonomethoxypropyl)cytosine

: 113852-37-2
cidofovir

Conditions

Conditions	Yield
With trimethylsilyl bromide; water; triethylamine 1.) CH3CN, overnight, 2.) 20 min; Multistep reaction;

: 132336-34-6
(S)-N1-[2-hydroxy-3-(triphenylmethoxy)propyl]-N4-benzoylcytosine

: 113852-37-2
cidofovir

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: NaH / dimethylformamide / 6 h / 0 °C 2: HCl(g) / CH2Cl2 / 0.17 h / 0 - 5 °C 3: TMSBr / CH2Cl2 / 18 h / Ambient temperature 4: conc. NH4OH / 4 h / Ambient temperature View Scheme
Multi-step reaction with 4 steps 1: potassium carbonate / acetonitrile / 12 h / 60 °C 2: trifluoroacetic acid / dichloromethane / 6 h / 20 °C 3: trimethylsilyl bromide / dichloromethane / 18 h / 20 °C 4: ammonium hydroxide / 3 h / 20 °C View Scheme

: 132336-36-8
diethyl (S)-4-N-benzoyl-1-[3-hydroxy-2-(phosphonomethoxy)propyl]cytosine

: 113852-37-2
cidofovir

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: TMSBr / CH2Cl2 / 18 h / Ambient temperature 2: conc. NH4OH / 4 h / Ambient temperature View Scheme

: 132336-35-7
[(S)-1-(4-Benzoylamino-2-oxo-2H-pyrimidin-1-ylmethyl)-2-trityloxy-ethoxymethyl]-phosphonic acid diethyl ester

: 113852-37-2
cidofovir

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: HCl(g) / CH2Cl2 / 0.17 h / 0 - 5 °C 2: TMSBr / CH2Cl2 / 18 h / Ambient temperature 3: conc. NH4OH / 4 h / Ambient temperature View Scheme
Multi-step reaction with 3 steps 1: trifluoroacetic acid / dichloromethane / 6 h / 20 °C 2: trimethylsilyl bromide / dichloromethane / 18 h / 20 °C 3: ammonium hydroxide / 3 h / 20 °C View Scheme

Raw Materials

132336-36-8

132336-37-9

18002-25-0

71-30-7

Total:97 Page 1 of 3 1 2 3 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 113852-37-2

Analytical Methods

Antineoplastic Agents : substances that inhibit or prevent the proliferation of NEOPLASMS

Specification

The Phosphonic acid,P-[[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]-, with the CAS registry number 113852-37-2, is also known as 1-(S)-(3-Hydroxy-2-phosphonylmethoxypropyl)cytosine. This chemical's molecular formula is C₈H₁₄N₃O₆P and molecular weight is 279.19. What's more, its systematic name is ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid. Its classification codes are: (1)Anti-HIV agents; (2)Anti-Infective Agents; (3)Anti-Retroviral Agents; (4)Antineoplastic Agents; (5)Antiviral; (6)Antiviral agents; (7)Radiation-Sensitizing Agents. It is a potent, selective inhibitor of human cytomegalovirus replication. It is an injectable antiviral medication for the treatment of cytomegalovirus (CMV) retinitis in patients with AIDS.

Physical properties of Phosphonic acid,P-[[(1S)-2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy]methyl]- are: (1)ACD/LogP: -3.37; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.65; (4)ACD/LogD (pH 7.4): -7.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 9; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 99.71 Å²; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 58.29 cm³; (15)Molar Volume: 158.6 cm³; (16)Polarizability: 23.1×10^-24cm³; (17)Surface Tension: 90.5 dyne/cm; (18)Density: 1.76 g/cm³; (19)Flash Point: 322.4 °C; (20)Enthalpy of Vaporization: 103.84 kJ/mol; (21)Boiling Point: 609.5 °C at 760 mmHg; (22)Vapour Pressure: 2.11E-17 mmHg at 25°C.

Preparation: first dissolving 1-(2, 3-dihydroxypropyl)cytosine in triethyl phosphate, then adding in ClCH₂P(O)Cl₂ by stiring, and then mixing and rejoining the ether, filtering and collecting the precipitates which are washed with ether and then dried in the vacuum. Then dissolving the intermediate product in water and conducting backflow which is then neutralized with triethylamine and evaporated out solvent in the vacuum. Finally by column chromatography, the product is prepared.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/N=C(\C=C/N1C[C@H](OCP(=O)(O)O)CO)N
(2)Std. InChI: InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1
(3)Std. InChIKey: VWFCHDSQECPREK-LURJTMIESA-N

113852-37-2

Refine

Country

Business Type

Certificate

Display

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

113852-37-2

Analytical Methods

Specification