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CAS No.: | 69-74-9 |
---|---|
Name: | 1-beta-D-Arabinofuranosylcytosine hydrochloride |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C9H13N3O5.HCl |
Molecular Weight: | 279.68 |
Synonyms: | 2(1H)-Pyrimidinone,4-amino-1-b-D-arabinofuranosyl-,monohydrochloride (9CI);Cytosine, 1-b-D-arabinofuranosyl-, monohydrochloride (8CI);1-b-D-Arabinofuranosylcytosinehydrochloride;1-b-D-Arabinofuranosylcytosinemonohydrochloride;Arabinofuranosylcytosine hydrochloride;Arabinosylcytosinehydrochloride;Aracytidine hydrochloride;Cytosinearabinoside hydrochloride;Spongocytidine-hydrochloride;U 19920A;Cytarabine HCl; |
EINECS: | 200-713-9 |
Melting Point: | 197-198 °C(lit.) |
Boiling Point: | 545.7 °C at 760 mmHg |
Flash Point: | 283.8 °C |
Solubility: | soluble in water |
Appearance: | fluffy white powder |
Hazard Symbols: | Xn |
Risk Codes: | 36-43-63 |
Safety: | 26-36/37 |
PSA: | 130.83000 |
LogP: | -1.17980 |
Conditions | Yield |
---|---|
With hydrogenchloride In methanol at 2 - 25℃; for 4h; | 96% |
With hydrogenchloride In diethyl ether |
ancitabine hydrochloride
cytarabine hydrochloride
Conditions | Yield |
---|---|
With ammonia In water at 80℃; for 0.5h; Temperature; | 62.4% |
cytarabine hydrochloride
3-Acryloylamino-propionic acid pentafluorophenyl ester
N-{2-[1-((2R,3S,4S,5R)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-2-oxo-1,2-dihydro-pyrimidin-4-ylcarbamoyl]-ethyl}-acrylamide
Conditions | Yield |
---|---|
With 1,4-diaza-bicyclo[2.2.2]octane In pyridine at 80℃; | 95% |
cytarabine hydrochloride
4-amino-5-chloro-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2(1H)-one
Conditions | Yield |
---|---|
With hydrogenchloride; 3-chloro-benzenecarboperoxoic acid In N,N-dimethyl acetamide for 1h; Ambient temperature; | 83.9% |
cytarabine hydrochloride
4-Acryloylamino-butyric acid pentafluorophenyl ester
N-(3-(N4-carbamoyl-1-(β-D-arabinofuranosyl)cytosine)-propyl)acrylamide
Conditions | Yield |
---|---|
With 1,4-diaza-bicyclo[2.2.2]octane In pyridine at 80℃; | 78% |
Conditions | Yield |
---|---|
In ISOPROPYLAMIDE at 30℃; for 22h; | 72% |
Conditions | Yield |
---|---|
In ISOPROPYLAMIDE; N,N-dimethyl-formamide at 25℃; for 24h; | 66% |
N-(2-(4-chlorophenyl)-3-(2-(dipropylamino)-2-oxoethyl)imidazo[1,2-a]pyridin-8-yl)-6-oxo-6-(2-thioxothiazolidin-3-yl)hexanamide
cytarabine hydrochloride
N1-(2-(4-chlorophenyl)-3-(2-(dipropylamino)-2-oxoethyl)imidazo[1,2-a]pyridin-8-yl)-N6-(1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)adipamide
Conditions | Yield |
---|---|
With pyridine at 50℃; | 66% |
cytarabine hydrochloride
2-(6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl)acetic acid
2-(6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl)-N-(1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)acetamide
Conditions | Yield |
---|---|
Stage #1: 2-(6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl)acetic acid With 1,1'-carbonyldiimidazole In N,N-dimethyl-formamide at 20℃; for 0.25h; Inert atmosphere; Stage #2: cytarabine hydrochloride In N,N-dimethyl-formamide Inert atmosphere; | 65% |
cytarabine hydrochloride
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 2h; | 63% |
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The IUPAC name of 1-beta-D-Arabinofuranosylcytosine hydrochloride is 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one hydrochloride. With the CAS registry number 69-74-9, it is also named as Cytarabine hydrochloride. The product's categories are Pyridines, Pyrimidines, Purines and Pteredines. Besides, it is fluffy white powder, which should be stored at 2-8 °C. It undergoes decomposition in acidic solutions. In addition, its molecular formula is C9H13N3O5.HCl and molecular weight is 279.68.
The other characteristics of this product can be summarized as: (1)EINECS: 200-713-9; (2)ACD/LogP: -1.94; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): -1.94; (5)ACD/LogD (pH 7.4): -1.94; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 2.1; (9)ACD/KOC (pH 7.4): 2.11; (10)#H bond acceptors: 8; (11)#H bond donors: 5; (12)#Freely Rotating Bonds: 5; (13)Polar Surface Area: 72.83 Å2; (14)Melting Point: 180-182 °C; (15)Flash Point: 283.8 °C; (16)Enthalpy of Vaporization: 94.8 kJ/mol; (17)Boiling Point: 545.7 °C at 760 mmHg; (18)Vapour Pressure: 3.5E-14 mmHg at 25 °C.
Preparation and Uses of 1-beta-D-Arabinofuranosylcytosine hydrochloride: this chemical can be prepared by 5'-CMP or Calcium Gluconate. Additionally, it is ntineoplastic agent that inhibits the synthesis of DNA. It is mainly used for the treatment of acute leukemia and gastrointestinal cancer. Its actions are specific for the S phase of the cell cycle. It also has antiviral and immunosuppressant properties.
When you are using this chemical, please be cautious about it as the following: it irritates to eyes, and may cause sensitization by skin contact. It is also possible risk of harm to the unborn child. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing and gloves.
People can use the following data to convert to the molecule structure.
(1)SMILES: Cl.O=C1/N=C(/N)\C=C/N1[C@@H]2O[C@@H]([C@@H](O)[C@@H]2O)CO
(2)InChI: InChI=1/C9H13N3O5.ClH/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8;/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16);1H/t4-,6-,7+,8-;/m1./s1
(3)InChIKey: KCURWTAZOZXKSJ-JBMRGDGGBO
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | intravenous | 172mg/kg (172mg/kg) | GASTROINTESTINAL: NAUSEA OR VOMITING | Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 353, 1974. |
monkey | LD50 | intravenous | 396mg/kg (396mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS GASTROINTESTINAL: NAUSEA OR VOMITING | Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 353, 1974. |
mouse | LD50 | intraperitoneal | 825mg/kg (825mg/kg) | BEHAVIORAL: FOOD INTAKE (ANIMAL) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Oyo Yakuri. Pharmacometrics. Vol. 6, Pg. 1255, 1972. |
mouse | LD50 | oral | 826mg/kg (826mg/kg) | National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986, | |
mouse | LD50 | subcutaneous | 2262mg/kg (2262mg/kg) | National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986, | |
rat | LD50 | intraperitoneal | 5500mg/kg (5500mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 6, Pg. 1255, 1972. | |
rat | LD50 | oral | > 3200mg/kg (3200mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 6, Pg. 1255, 1972. |