CAS No.127-07-1,Hydroxyurea Suppliers

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Basic Information

Molecular Structure:
CAS No.:	127-07-1
Name:	Hydroxyurea
Article Data:	60

Formula:	CH₄N₂O₂
Molecular Weight:	76.055
Synonyms:	Urea,hydroxy- (6CI,8CI,9CI);Biosupressin;Carbamohydroxamic acid;Carbamohydroximicacid;Carbamoyl oxime;Droxia;Hydrea;Hydreia;Hydroxycarbamide;Hydroxylamine, N-(aminocarbonyl)-;Hydura;Hydurea;Onco-Carbide;Oxyrea;Oxyurea;
EINECS:	204-821-7
Density:	1.457 g/cm³
Melting Point:	135-140 °C
Boiling Point:	136.04°C (rough estimate)
Solubility:	water: 50 mg/mL
Appearance:	off-white crystalline solid
Hazard Symbols:	T,Xn
Risk Codes:	46-63-61-40
Safety:	53-36/37-45-36-22
PSA:	75.35000
LogP:	0.13510

Synthetic route

: 126669-78-1
N-(trimethylsiloxy)-N,N'-bis(trimethylsilyl)urea

: 127-07-1
N-hydroxyurea

Conditions

Conditions	Yield
With ethanol	96%

: 126669-76-9
N-(trimethylsiloxy)-N'-(trimethylsilyl)urea

: 127-07-1
N-hydroxyurea

Conditions

Conditions	Yield
With ethanol at 20℃; for 15h;	94%

: 1118-02-1
trimethylsilyl isocyanate

: 4-(1-phenylethoxy)-2-hydroxyacetophenone

A: N-hydroxy-N-[1-(4-(1-phenylethoxy)-2-hydroxyphenyl)-ethyl]urea

B: 127-07-1
N-hydroxyurea

Conditions

Conditions	Yield
With pyridine; hydrogenchloride; hydroxylamine hydrochloride; hydroxylamine In tetrahydrofuran; ethanol; dichloromethane; water; toluene	A n/a B 78%

...Expand

: 598-55-0
methyl carbamate

: 127-07-1
N-hydroxyurea

Conditions

Conditions	Yield
With hydroxylamine; sodium hydroxide In water at 20℃; for 3.7h; Time;	62.3%

: 420-05-3
cyanic acid

A: 127-07-1
N-hydroxyurea

B: 683-62-5
amino carbamate

Conditions

Conditions	Yield
With diethyl ether; hydroxylamine

: 590-28-3
potassium cyanate

: 127-07-1
N-hydroxyurea

Conditions

Conditions	Yield
With hydroxylamine sulfate
With hydroxylamine hydrochloride

: 590-28-3
potassium cyanate

A: 127-07-1
N-hydroxyurea

B: 683-62-5
amino carbamate

Conditions

Conditions	Yield
With hydroxylamine hydrochloride; water

: 57-13-6
urea

: 127-07-1
N-hydroxyurea

Conditions

Conditions	Yield
With hydroxylamine hydrochloride; water
With Fe(3+), Cu(2+), H2SO4 In not given other Radiation; 20°C; vac.; X-ray irradiatin; concn. of urea 4.6 until 9.1 M in 0.1 N H2SO4;

: 51-79-6
urethane

: 127-07-1
N-hydroxyurea

Conditions

Conditions	Yield
With sodium hydroxide; hydroxylamine hydrochloride
With potassium hydroxide; hydroxylamine sulfate

: 75-13-8
isocyanic acid

: 127-07-1
N-hydroxyurea

Conditions

Conditions	Yield
With sodium hydroxide; hydroxylamine hydrochloride

Raw Materials

590-28-3

51-79-6

7732-18-5

7803-49-8

75-13-8

683-62-5

2072-71-1

17479-46-8

Downstream Products

124-38-9

57-13-6

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Consensus Reports

NCI Carcinogenesis Studies (ipr); No Evidence: mouse CANCAR Cancer. 40 (1977),1935. . NCI Carcinogenesis Studies (ipr); Equivocal Evidence: rat CANCAR Cancer. 40 (1977),1935. . EPA Genetic Toxicology Program.

Specification

The Hydroxyurea, with the CAS registry number 127-07-1, is also known as Urea, N-hydroxy-. It belongs to the product categories of Miscellaneous Biochemicals; Pharmacetical; Aliphatics; Nucleotides and Nucleosides; Hydroxylamines; Hydroxylamines (N-Substituted); Bases & Related Reagents; Nitric Oxide Reagents; Nucleotides; Carbonyl Compounds; Organic Building Blocks; Ureas; DNA Synthesis Inhibitors; DNA Synthesis Inhibitors Cancer Research; Antitumor Agents; Apoptosis and Cell Cycle; DNA Metabolism; Aids Aided Treatment; Amines. Its EINECS registry number is 204-821-7. This chemical's molecular formula is CH₄N₂O₂ and molecular weight is 76.05. What's more, its IUPAC name is called 1-Hydroxyurea. It should be stored in a cool, dry and well-ventilated place. This chemical can be prepared by Ethyl Carbamate with hydroxylamine hydrochloride.

Physical properties about Hydroxyurea are: (1)ACD/LogP: -1.8; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.80; (4)ACD/LogD (pH 7.4): -1.80; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.50; (8)ACD/KOC (pH 7.4): 2.49; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 75.35 Å²; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 15.376 cm³; (15)Molar Volume: 52.161 cm³; (16)Polarizability: 6.096×10^-24 cm³; (17)Surface Tension: 69.72 dyne/cm; (18)Density: 1.458 g/cm³.

Uses of Hydroxyurea: (1) it is used as an anticancer drug; (2) it is used to produce other chemicals. For example, it can react with 2-methyl-3-oxo-butyric acid ethyl ester to get 1-hydroxy-5,6-dimethyl-1H-pyrimidine-2,4-dione. This reaction needs reagent NaOEt and solvent ethanol at ambient temperature. The reaction time is 72 hours. The yield is 60 %.

Hydroxyurea can react with 2-methyl-3-oxo-butyric acid ethyl ester to get 1-hydroxy-5,6-dimethyl-1H-pyrimidine-2,4-dione.

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health at low levels and may cause heritable genetic damage. It has a carcinogenic effect and may cause harm to the unborn child. Therefore, you should wear suitable protective clothing and gloves. In addition, you should avoid exposuring and obtain special instructions before using it. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)NO
(2) InChI: InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
(3) InChIKey: VSNHCAURESNICA-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD50	intravenous	> 1gm/kg (1000mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 682, 1992.
dog	LD50	oral	> 2gm/kg (2000mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 682, 1992.
human	TDLo	intravenous	86mg/kg (86mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING BLOOD: OTHER CHANGES	Cancer Chemotherapy Reports, Part 1. Vol. 57, Pg. 369, 1973.
human	TDLo	oral	80mg/kg/D (80mg/kg)	BLOOD: NORMOCYTIC ANEMIA BLOOD: LEUKOPENIA BLOOD: THROMBOCYTOPENIA	Cancer Chemotherapy Reports. Vol. 29, Pg. 103, 1963.
man	TDLo	oral	14mg/kg (14mg/kg)		Annals of Pharmacotherpy. Vol. 29, Pg. 132, 1995.
man	TDLo	oral	450mg/kg/21D- (450mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING LUNGS, THORAX, OR RESPIRATION: "FIBROSIS, FOCAL (PNEUMOCONIOSIS)"	Netherlands Journal of Medicine. Vol. 51, Pg. 110, 1997.
man	TDLo	unreported	64mg/kg/3D-I (64mg/kg)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: COUGH	Australian and New Zealand Journal of Medicine. Vol. 28, Pg. 347, 1998.
mouse	LD10	subcutaneous	2400mg/kg (2400mg/kg)		European Journal of Cancer. Vol. 10, Pg. 667, 1974.
mouse	LD50	intraperitoneal	5800mg/kg (5800mg/kg)		Cancer Research. Vol. 39, Pg. 3575, 1979.
mouse	LD50	intravenous	2350mg/kg (2350mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 682, 1992.
mouse	LD50	oral	7330mg/kg (7330mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 682, 1992.
rat	LD50	intraperitoneal	> 4700mg/kg (4700mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 645, 1968.
rat	LD50	intravenous	4730mg/kg (4730mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 682, 1992.
rat	LD50	oral	5760mg/kg (5760mg/kg)		Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 682, 1992.
rat	LD50	unreported	4300mg/kg (4300mg/kg)		Proceedings of the American Association for Cancer Research. Vol. 4, Pg. 10, 1963.
women	TDLo	oral	600mg/kg/30D- (600mg/kg)		Netherlands Journal of Medicine. Vol. 51, Pg. 110, 1997.
women	TDLo	oral	600mg/kg/30D- (600mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"	Netherlands Journal of Medicine. Vol. 51, Pg. 110, 1997.