CAS No.5536-17-4,vidarabine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5536-17-4
Name:	vidarabine
Article Data:	57

Formula:	C₁₀H₁₃N₅O₄
Molecular Weight:	267.244
Synonyms:	Adenine,9-beta-D-arabinofuranosyl- (7CI,8CI);6-Amino-9-beta-D-arabinofuranosylpurine;9-Arabinosyladenine;9-beta-D-Arabinoadenosine;9-beta-D-Arabinofuranosyl-9H-purin-6-amine;9-beta-D-Arabinofuranosyladenine;Adenine 9-beta-D-arabinofuranoside;Adeninearabinoside;Adenine beta-D-arabinofuranoside;Araadenosine;Arabinosyladenine;Arasena-A;CI-673;NSC 247519;NSC 404241;Spongoadenosine;Vira-A;beta-Ara-A;beta-D-Arabinofuranosyladenine;beta-D-Arabinosyladenine;
EINECS:	226-893-9
Density:	2.08 g/cm³
Melting Point:	260-265 °C (dec.)
Boiling Point:	676.3 °C at 760 mmHg
Flash Point:	362.8 °C
Solubility:	Insoluble in water
Appearance:	white to off-white crystalline powder
Hazard Symbols:	Xn,Xi
Risk Codes:	63-36/37/38
Safety:	36/37-36-26
PSA:	139.54000
LogP:	-1.39880

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Vidarabine anhydrous, with the CAS registry number 5536-17-4, is also known as Adenine-beta-D-arabinofuranoside. It belongs to the product category of Active Pharmaceutical Ingredients. Its EINECS registry number is 226-893-9. This chemical's molecular formula is C₁₀H₁₃N₅O₄ and molecular weight is 267.24. Its IUPAC name is called (2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol. What's more, this chemical's classification codes are Anti-Infective Agents; Antimetabolites; Antiviral agents; Drug / Therapeutic Agent; Human Data; Mutation Data; Noxae; Reproductive Effect; Skin / Eye Irritant.

Physical properties of Vidarabine anhydrous: (1)ACD/LogP: -1.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.03; (4)ACD/LogD (pH 7.4): -1.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.52; (8)ACD/KOC (pH 7.4): 6.6; (9)#H bond acceptors: 9; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.907; (13)Molar Refractivity: 59.95 cm³; (14)Molar Volume: 128.1 cm³; (15)Surface Tension: 107.6 dyne/cm; (16)Density: 2.08 g/cm³; (17)Flash Point: 362.8 °C; (18)Enthalpy of Vaporization: 104.3 kJ/mol; (19)Boiling Point: 676.3 °C at 760 mmHg; (20)Vapour Pressure: 3.26E-19 mmHg at 25°C.

Preparation of Vidarabine anhydrous: this chemical can be prepared by 1-(6-amino-purin-9-yl)-O²,O³,O⁵-tribenzyl-beta-D-1-deoxy-arabinofuranose. This reaction will need reagent Cyclohexene and solvent ethanol. The reaction time is 2 hours. The yield is about 98%.

Vidarabine anhydrous can be prepared by 1-(6-amino-purin-9-yl)-O2,O3,O5-tribenzyl-beta-D-1-deoxy-arabinofuranose

Uses of Vidarabine anhydrous: it can be used to produce O²,O³,O⁵-triacetyl-1-(6-amino-purin-9-yl)-beta-D-1-deoxy-arabinofuranose. This reaction will need reagent pyridine. The yield is about 94%.

Vidarabine anhydrous can be used to produce O2,O3,O5-triacetyl-1-(6-amino-purin-9-yl)-beta-D-1-deoxy-arabinofuranose

Vidarabine anhydrous is good for Herpes simplex virus (HSV-1 and HSV-2). In addition, this chemical not only can be used in the treatment of herpes simplex viral meningitis, but also in immunosuppressing patient's herpes zoster and varicella infections. When daily dose above 10mg/kg, you may appear anorexia, nausea, vomiting, diarrhea, transaminase lifts, dizziness, weakness, etc.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O
(2)Isomeric SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O
(3)InChI: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1
(4)InChIKey: OIRDTQYFTABQOQ-UHTZMRCNSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
human	TDLo	intravenous	300ug/kg (0.3mg/kg)	BEHAVIORAL: ANOREXIA (HUMAN GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Journal of Infectious Diseases. Vol. 133, Pg. A192, 1976.
human	TDLo	intravenous	2mg/kg (2mg/kg)	BRAIN AND COVERINGS: CHANGES IN SURFACE EEG BEHAVIORAL: ATAXIA BEHAVIORAL: TOXIC PSYCHOSIS	Journal of Infectious Diseases. Vol. 134, Pg. 75, 1976.
mouse	LD50	intraperitoneal	3057mg/kg (3057mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 688, 1984.
mouse	LD50	intravenous	442mg/kg (442mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 688, 1984.
mouse	LD50	oral	7800ug/kg (7.8mg/kg)		"Kirk-Othmer Encyclopedia of Chemical Technology," 3rd ed., Grayson, M., and D. Eckroth, eds. New York, John Wiley & Sons, Inc., 1978Vol. 2, Pg. 962, 1978.
mouse	LD50	subcutaneous	5086mg/kg (5086mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 688, 1984.
rat	LD50	intraperitoneal	1476mg/kg (1476mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 688, 1984.
rat	LD50	intravenous	302mg/kg (302mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 688, 1984.
rat	LD50	oral	> 5gm/kg (5000mg/kg)	LIVER: OTHER CHANGES	Annals of the New York Academy of Sciences. Vol. 284, Pg. 6, 1977.
rat	LD50	subcutaneous	8914mg/kg (8914mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 688, 1984.
women	LDLo	intravenous	105mg/kg/1W-I (105mg/kg)	BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" BEHAVIORAL: TREMOR	Canadian Medical Association Journal. Vol. 132, Pg. 392, 1985.