CAS No.302962-49-8,Dasatinib Suppliers

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Basic Information

Molecular Structure:
CAS No.:	302962-49-8
Name:	Dasatinib
Article Data:	47
Cas Database

Formula:	C₂₂H₂₆ClN₇O₂S
Molecular Weight:	488.013
Synonyms:	BMS 354825;BMS 35482513;Sprycel;Spyrcel;N-(2-Chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;
EINECS:	801-607-0
Density:	1.409 g/cm³
Melting Point:	275-286 °C
Appearance:	pale-yellow solid
PSA:	134.75000
LogP:	3.46240

Synthetic route

: 103-76-4
1-(2-hydroxyethyl)piperazine

: 302964-08-5
2-(6-chloro-2-methylpyrimidin-4-ylamino)-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide

: 302962-49-8
dasatanib

Conditions

Conditions	Yield
With tetrabutylammomium bromide In acetonitrile at 30 - 80℃;	97%
In propan-1-ol at 115 - 120℃; Temperature;	93%
With copper(l) chloride In N,N-dimethyl-formamide at 65℃; for 2h; Temperature; Reagent/catalyst;	91.6%

: 1245157-85-0
N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-acetoxyethyl)-1-piperazinyl]-2-methyl- 4-pyrimidinyl]amino]-5-thiazolecarboxamide

: 302962-49-8
dasatanib

Conditions

Conditions	Yield
With potassium carbonate In methanol; water at 60 - 65℃; for 3h; Solvent; Reagent/catalyst;	96.4%
Stage #1: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-acetoxyethyl)-1-piperazinyl]-2-methyl- 4-pyrimidinyl]amino]-5-thiazolecarboxamide With water; sodium hydroxide at 50℃; for 2h; Stage #2: With hydrogenchloride In water at 20 - 25℃; pH=4;	88.7%
Stage #1: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-acetoxyethyl)-1-piperazinyl]-2-methyl- 4-pyrimidinyl]amino]-5-thiazolecarboxamide With water; sodium hydroxide at 50℃; for 2h; Stage #2: With hydrogenchloride In water at 20 - 25℃; pH=4;	88.7%

: C20H24ClN5O4S

: 124-42-5
acetamidine hydrochloride

: 302962-49-8
dasatanib

Conditions

Conditions	Yield
With sodium methylate In methanol at 65℃; for 4h; Temperature; Cooling with ice;	95.3%

: 103-76-4
1-(2-hydroxyethyl)piperazine

: 1780-26-3
2,4-dichloro-2-methylpyrimidine

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

: 302962-49-8
dasatanib

Conditions

Conditions	Yield
Stage #1: 1-(2-hydroxyethyl)piperazine; 2,4-dichloro-2-methylpyrimidine With potassium phosphate; 1-butyl-3-methylimidazolium aminoethanic acid salt at 80℃; for 1.5h; Stage #2: 2-amino-N-(2-chloro-6-methylphenyl)-1.3-thiazole-5-carboxamide at 20 - 80℃; for 2h; Reagent/catalyst;	92.27%
Stage #1: 1-(2-hydroxyethyl)piperazine; 2,4-dichloro-2-methylpyrimidine With potassium phosphate; 1-butyl-3-methylimidazolium aminoethanic acid salt In N,N-dimethyl acetamide at 80℃; for 2h; Stage #2: 2-amino-N-(2-chloro-6-methylphenyl)-1.3-thiazole-5-carboxamide In N,N-dimethyl acetamide at 80℃; for 3h; Solvent;	89.31%
Stage #1: 1-(2-hydroxyethyl)piperazine; 2,4-dichloro-2-methylpyrimidine With copper(l) iodide; dimethylaminoacetic acid; O4P(3-)O4P(3-)3K(1+) In N,N-dimethyl-formamide at 20℃; for 0.666667h; Stage #2: 2-amino-N-(2-chloro-6-methylphenyl)-1.3-thiazole-5-carboxamide at 120℃; for 6h; Inert atmosphere;	88.41%

...Expand

: 103-76-4
1-(2-hydroxyethyl)piperazine

: 1245157-51-0
2-(6-bromo-2-methylpyrimidin-4-ylamino)-N-(2-chloro-6-methylphenyl)thiazole-5-formamide

: 302962-49-8
dasatanib

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In butan-1-ol for 7h; Solvent; Time; Reflux;	87.9%
With N-ethyl-N,N-diisopropylamine In isopropyl alcohol for 5h; Product distribution / selectivity; Reflux;	73.6%

: 127116-19-2
2-(4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl)ethanol

: 302964-24-5
2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

: 302962-49-8
dasatanib

Conditions

Conditions	Yield
In 1,4-dioxane at 75℃; for 3h; Concentration;	83.2%
With potassium carbonate; palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl at 100 - 110℃; for 20h;

: 1245157-86-1
C29H30ClN7O3S

: 302962-49-8
dasatanib

Conditions

Conditions	Yield
Stage #1: C29H30ClN7O3S With water; sodium hydroxide at 50℃; for 2h; Stage #2: With hydrogenchloride In water at 20 - 25℃; pH=4;	82.5%
Stage #1: C29H30ClN7O3S With water; sodium hydroxide at 50℃; for 2h; Stage #2: With hydrogenchloride In water at 20 - 25℃; pH=4;	82.5%

: 1245157-70-3
C29H32ClN7O2S

: 302962-49-8
dasatanib

Conditions

Conditions	Yield
Stage #1: C29H32ClN7O2S With boron trichloride In dichloromethane at -15 - 20℃; Stage #2: With water In dichloromethane Cooling with ice;	82.2%
With boron trichloride In dichloromethane at -15 - 20℃;	82.2%

: 103-76-4
1-(2-hydroxyethyl)piperazine

: (2-(6-chloro-2-methylpyrimidine-4-ylamino)-N-(2-chloro-6-methylpbenyl)thiazole-5-carboxamide)

: 302962-49-8
dasatanib

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one at 65 - 100℃; for 1h; Inert atmosphere;	82%

: 1245157-42-9
2-(6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-ylamino)thiazole-5-formic acid

: 87-63-8
2-chloro-6-methylaniline

: 302962-49-8
dasatanib

Conditions

Conditions	Yield
With O-phenyl phosphorodichloridate; triethylamine In dichloromethane at 0 - 20℃; Product distribution / selectivity; Inert atmosphere;	80.9%
With O-phenyl phosphorodichloridate; triethylamine In dichloromethane at 0 - 20℃; Reagent/catalyst; Inert atmosphere;	80.9%

Raw Materials

87-63-8

Downstream Products

Total:232 Page 1 of 7 1 2 3 4 5 6 …7 Next>>

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Specification

The CAS register number of 5-Thiazolecarboxamide,N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]- is 302962-49-8. It also can be called as Dasatinib and the IUPAC name about this chemical is N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide. The molecular formula about this chemical is C₂₂H₂₆ClN₇O₂S and the molecular weight is 488.01. It belongs to the following product categories, such as Intermediates & Fine Chemicals; Pharmaceuticals; Tyrosine Kinase Inhibitors; Pharmaceutical intermediate and so on. This chemical is used as a new, oral, small-molecule Tyrosine Kinase Inhibitor (TKI) for the treatment of CML and antineoplastic.

Physical properties about 5-Thiazolecarboxamide,N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]- are: (1)ACD/LogP: 0.14; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 11.084; (6)#H bond acceptors: 9; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 134.75Å²; (10)Index of Refraction: 1.688; (11)Molar Refractivity: 132.039 cm³; (12)Molar Volume: 346.405 cm³; (13)Polarizability: 52.344x10^-24cm³; (14)Surface Tension: 73.791 dyne/cm.

The 5-Thiazolecarboxamide,N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]- is a cancer drug produced by Bristol-Myers Squibb and sold under the trade name Sprycel. It is an oral dual BCR/ABL and Src family tyrosine kinases inhibitor approved for use in patients with chronic myelogenous leukemia (CML) after imatinib treatment and Philadelphia chromosome-positive acute lymphoblastic leukemia (Ph+ ALL). It is also being assessed for use in metastatic melanoma.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
(2)InChI: InChI=1/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
(3)InChIKey: ZBNZXTGUTAYRHI-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
(5)Std. InChIKey: ZBNZXTGUTAYRHI-UHFFFAOYSA-N