[ CAS No. 14229-27-7 ]

Name: 14229-27-7|3-Amino-5,6-dichloropyrazine-2-carboxamide|95+%
Brand: Ambeed
SKU: A782848
Price: 39.0 USD
Availability: InStock
Rating: 97 (28 reviews)

{[proInfo.proName]} ,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

type	HazMat fee
Excepted Quantity	Free
Inaccessible (Haz class 6.1), Domestic	USD 41.00
Inaccessible (Haz class 6.1), International	USD 64.00
Accessible (Haz class 3, 4, 5 or 8), Domestic	USD 83.00
Accessible (Haz class 3, 4, 5 or 8), International	USD 133.00

DV 2D 3D

3d Animation Molecule Structure of 14229-27-7

Structure of 14229-27-7 * Storage: {[proInfo.prStorage]}

Cart0 Add to My Favorites Bulk Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

For Research Only 88K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 14229-27-7 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 14229-27-7 ]

SDS

Alternatived Products of [ 14229-27-7 ]

Product Details of [ 14229-27-7 ]

CAS No. :	14229-27-7	MDL No. :	MFCD21603848
Formula :	C₅H₄Cl₂N₄O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	N/A
M.W :	207.02 g/mol	Pubchem ID :	-
Synonyms :

Calculated chemistry of of [ 14229-27-7 ]

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	44.55
TPSA :	94.89 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.77 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.55
Log Po/w (XLOGP3) :	1.12
Log Po/w (WLOGP) :	0.47
Log Po/w (MLOGP) :	-0.55
Log Po/w (SILICOS-IT) :	0.73
Consensus Log Po/w :	0.46

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.13
Solubility :	1.52 mg/ml ; 0.00736 mol/l
Class :	Soluble
Log S (Ali) :	-2.71
Solubility :	0.407 mg/ml ; 0.00197 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.12
Solubility :	1.56 mg/ml ; 0.00755 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.25

Safety of [ 14229-27-7 ]

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501	UN#:	2811
Hazard Statements:	H301-H311-H331	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 14229-27-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 14229-27-7 ]

[ 14229-27-7 ] Synthesis Path-Downstream 1~11

Yield	Reaction Conditions	Operation in experiment
	/BRN= 611298/ u. NH3;
	Methylester (III) u. liq. NH3;
	aus dem analogen Ester mit NH3;

2,3-Dichlor-6-amino-5-methoxycarbonyl-pyrazin, fl. NH3, DMSO (20grad, 24h, Druck);

2
[ 1738-76-7 ]
[ 14229-27-7 ]
[ 1115177-13-3 ]

Yield	Reaction Conditions	Operation in experiment
45%	With triethylamine; In N,N-dimethyl-formamide; at 60℃; for 18h;Inert atmosphere;	To a solution of 2-pyrazinecarboxamide 2 (0.1 g, 0.483 mmol) in anhydrous DMF (2 mL) was added BnO-Gly-NH3+ OTs-(0.179 g, 0.531 mmol). Triethylamine (0.204 mL, 1.44 mmol) was added dropwise and the reaction mixture then was heated at 60 C for 18 h under nitrogen atmosphere. The reaction mixture was cooled in ice bath and quenched with saturated NH4Cl solution (4 mL). The quenched mixture was extracted with CH2Cl2 (3 x 20 mL), the organic layer washed with water (3 x 10 mL), brine (3 x 10 mL), dried (Na2SO4) and then concentrated by rotary evaporation. The crude product obtained was purified by flash silica gel chromatography eluting with 40% EtOAc in hexane to give compound 12 (0.073 g, 45%) as yellow crystals,

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2012,vol. 22,p. 2635 - 2639

3
[ 1458-18-0 ]
[ 14229-27-7 ]

Yield	Reaction Conditions	Operation in experiment
100%	With ammonia; at -80℃; for 11.5h;Inert atmosphere; Reflux;	Methyl 3-amino 5,6-dichloro-2-pyrazinecarboxylate (10 g, 45 mmol) was placed in a three-necked round bottom flask flushed with nitrogen, equipped with a bubbler and a gas condensor. The round bottomedflask and condensor were cooled to -80 C using a dry ice in acetone bath. Gaseous ammonia (500 mL) was condensed into the flask over a period of 1.5 h. Thereaction mixture was allowed to warm to reflux and maintained at reflux for a period of10 h. The ammonia then was allowed to evaporate from the flask (fume hood!) and the solid obtained was dried under high vacuum overnight to provide 3-amino-5,6-dichloro-2-pyrazinecarboxamide 4 (9.5 g, 100%) as solid,

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2012,vol. 22,p. 2635 - 2639

4
[ 14229-27-7 ]
[ 1115177-18-8 ]
[ 1115176-94-7 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: trichlorophosphate / toluene / 5 h / 80 °C / Inert atmosphere 2: trimethylaluminum; ammonium chloride / hexane; toluene / 32 h / 20 - 80 °C / Inert atmosphere 3: triethylamine / N,N-dimethyl-formamide / 48 h / 60 °C / Inert atmosphere 4: palladium 10% on activated carbon; hydrogen / ethanol / 32 h / 20 °C / Inert atmosphere