CAS No.58579-51-4,Anagrelide hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	58579-51-4
Name:	Anagrelide hydrochloride
Article Data:	7

Formula:	C₁₀H₈Cl₃N₃O
Molecular Weight:	292.552
Synonyms:	Imidazo[2,1-b]quinazolin-2(3H)-one,6,7-dichloro-1,5-dihydro-, monohydrochloride (9CI);6,7-Dichloro-1,5-dihydroimidazo[2,1-b]quinazolin-2(3H)-one Hydrochloride;Agrelin;Agrylin;BL 4162A;BMY 26538-01;
EINECS:	680-360-9
Density:	1.77g/cm3
Melting Point:	>280 °C
Boiling Point:	376.5 °C at 760 mmHg
Flash Point:	181.5 °C
Appearance:	Off-white powder
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26
PSA:	44.70000
LogP:	2.43060

Synthetic route

: anagrelide hemiformate

: 58579-51-4
anagrelide hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In ethanol; water; toluene at 24 - 38℃; for 1.35h; Concentration; Temperature; Time;	97%

: 78052-19-4
ethyl 2,5,6-trichloro-3,4-dihydroquinazoline-3-acetate

: 58579-51-4
anagrelide hydrochloride

Conditions

Conditions	Yield
With ammonium hydroxide In ethanol at 120℃; for 16h; sealed tube;	78%

: 68475-42-3
anagrelide

: 58579-51-4
anagrelide hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In methanol for 0.166667h; Heating / reflux;	70%
With hydrogenchloride In dimethyl sulfoxide at 50℃;	44.2%
With hydrogenchloride In ethanol; water at 78 - 80℃; for 0.133333h;

: 78052-12-7
2,5,6-Trichloro-3,4-dihydro-quinazoline

: 58579-51-4
anagrelide hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 76 percent / K2CO3 / butan-2-one / Heating 2: 78 percent / 10percent ammonia / ethanol / 16 h / 120 °C / sealed tube View Scheme

: 78052-21-8
2,4,5,6-tetrachloroquinazoline

: 58579-51-4
anagrelide hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 94 percent / NaBH4 / CHCl3; ethanol / 2 h / 25 °C 2: 76 percent / K2CO3 / butan-2-one / Heating 3: 78 percent / 10percent ammonia / ethanol / 16 h / 120 °C / sealed tube View Scheme

: (2-amino-5,6-dichloroquinazolin-3(4H)-yl)acetic acid methyl ester hydrochloride

: 58579-51-4
anagrelide hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In water at 37℃; for 1h;

: 506-68-3
bromocyane

: 70406-92-7
N-(6-amino-2,3-dichlorobenzyl)glycine ethyl ester

: 58579-51-4
anagrelide hydrochloride

Conditions

Conditions	Yield
In 2-methoxy-ethanol

: 1677-47-0
4,5-Dichloro-1H-indole-2,3-dione

: 58579-51-4
anagrelide hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 2: hydrogenchloride; borane / tetrahydrofuran 3: hydrogenchloride; thionyl chloride; triethylamine / benzene 4: 2-methoxy-ethanol View Scheme

: 20776-60-7
6-amino-2,3-dichlorobenzoic acid

: 58579-51-4
anagrelide hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: hydrogenchloride; borane / tetrahydrofuran 2: hydrogenchloride; thionyl chloride; triethylamine / benzene 3: 2-methoxy-ethanol View Scheme

: 70380-51-7
3,4-dichloro-2-hydroxymethylaniline

: 58579-51-4
anagrelide hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: hydrogenchloride; thionyl chloride; triethylamine / benzene 2: 2-methoxy-ethanol View Scheme

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Chemistry

Molecular Structure of Imidazo[2,1-b]quinazolin-2(3H)-one,6,7-dichloro-1,5-dihydro-, hydrochloride (1:1) (CAS NO.58579-51-4):

IUPAC Name: 6,7-Dichloro-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-2-one hydrochloride
Canonical SMILES: C1C2=C(C=CC(=C2Cl)Cl)NC3=NC(=O)CN31.Cl
InChI: InChI=1S/C10H7Cl2N3O.ClH/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7; /h1-2H,3-4H2,(H,13,14,16); 1H
InChIKey: TVWRQCIPWUCNMI-UHFFFAOYSA-N
Molecular Weight: 292.54902 [g/mol]
Molecular Formula: C₁₀H₈Cl₃N₃O
H-Bond Donor: 2
H-Bond Acceptor: 3
Density: 1.77g/cm³
Flash Point: 181.5 °C
Enthalpy of Vaporization: 62.42 kJ/mol
Boiling Point: 376.5 °C at 760 mmHg
Vapour Pressure: 7.21E-06 mmHg at 25 °C
Appearance: Off-White Powder
Melting Point: >280 °C
Solubility: Soluble to 10 mM in DMSO,soluble in water
Classification Code: Antithrombotic; Drug / Therapeutic Agent; Fibrinolytic Agents; Platelet Aggregation Inhibitors
Product Categories: Intermediates & Fine Chemicals; Pharmaceuticals

Uses

Imidazo[2,1-b]quinazolin-2(3H)-one,6,7-dichloro-1,5-dihydro-, hydrochloride (1:1) (CAS NO.58579-51-4) is used as an antithrombocythemic.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
monkey	LD50	oral	> 200mg/kg (200mg/kg)	New Drugs Annual: Cardiovascular Drugs. Vol. 1, Pg. 277, 1983.
mouse	LD50	intraperitoneal	500mg/kg (500mg/kg)	New Drugs Annual: Cardiovascular Drugs. Vol. 1, Pg. 277, 1983.
mouse	LD50	oral	> 2500mg/kg (2500mg/kg)	New Drugs Annual: Cardiovascular Drugs. Vol. 1, Pg. 277, 1983.
rat	LD50	oral	> 1500mg/kg (1500mg/kg)	New Drugs Annual: Cardiovascular Drugs. Vol. 1, Pg. 277, 1983.

Specification

Imidazo[2,1-b]quinazolin-2(3H)-one,6,7-dichloro-1,5-dihydro-, hydrochloride (1:1) (CAS NO.58579-51-4), its Synonyms are 6,7-Dichloro-1,5-dihydroimidazo(2,1-b)-quinazolin-2(3H)-one monohydrochloride ; Agrelin ; Agrylin ; Anagrelid hydrochlorid ; Anagrelide HCl ; Anagrelide hydrochloride ; Imidazo(2,1-b)quinazolin-2(3H)-one, 6,7-dichloro-1,5-dihydro-, monohydrochloride .