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PKC-IN-1 - 98%, high purity , CAS No.1046787-18-1

COA

Grade & Purity:

≥98%

Cas Number: 1046787-18-1
Molecular Weight: 500.61
PubChem CID: 25155745

In stock

Item Number

P651634

Grouped product items
SKU	Size	Availability	Price
P651634-2mg	2mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$194.90
P651634-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$420.90
P651634-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$600.90
P651634-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,800.90
P651634-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,520.90

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Basic Description

Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	PKC-IN-1 is a potent, ATP-competitive and reversible inhibitor of conventional PKC enzymes with K i s of 5.3 and 10.4 nM for human PKCβ and PKCα , and IC 50 s of 2.3, 8.1, 7.6, 25.6, 57.5, 314, 808 nM for PKCα , PKCβI, PKCβII, PKCθ , PKCγ , PKC mu and PKC
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	PKC-IN-1 is a potent, ATP-competitive and reversible inhibitor of conventional PKC enzymes with K i s of 5.3 and 10.4 nM for human PKCβ and PKCα , and IC 50 s of 2.3, 8.1, 7.6, 25.6, 57.5, 314, 808 nM for PKCα , PKCβI, PKCβII, PKCθ , PKCγ , PKC mu and PKCε , respectively. In Vitro PKC-IN-1 (Compound A) is a potent, ATP-competitive and reversible of conventional PKC enzymes with K i s of 5.3 and 10.4 nM for human PKCβ and PKCα, and IC 50 s of 2.3, 8.1, 7.6, 25.6, 57.5, 314, 808 nM for PKCα, PKCβI, PKCβII, PKCθ, PKCγ, PKC mu and PKCε, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo PKC-IN-1 (Compound A; 15 and 30 mg/kg, p.o., bid (twice a day)) dose-dependently and significantly reduces maximum EAE severity and end severity in autoimmune encephalitis (EAE) model in Lewis rats . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:IC50: 2.3 nM (Human PKCα), 7.6 nM (Human PKCβII), 8.1 nM (Human PKCβI), 25.6 nM (Human PKCθ), 57.5 nM (Human PKCγ), 314 nM (Human PKC mu), 808 nM (Human PKCε), Ki: 5.3 nM (Human PKCβ), 10.4 nM (Human PKCα)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines
      - Level5 Piperazine carboxylic acids and derivatives
        Level6 Piperazine carboxamides

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Piperazine carboxylic acids and derivatives
Direct Parent	Piperazine carboxamides
Alternative Parents	Pyrrolopyrazoles Aminopyrimidines and derivatives Halopyrimidines N-alkylpiperazines Aryl fluorides Imidolactams Oxanes Pyrroles Heteroaromatic compounds Pyrazoles Ureas Trialkylamines Dialkyl ethers Oxacyclic compounds Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Piperazine-1-carboxamide - Pyrrolopyrazole - Aminopyrimidine - Halopyrimidine - N-alkylpiperazine - Aryl fluoride - Aryl halide - Oxane - Pyrimidine - Imidolactam - Azole - Heteroaromatic compound - Pyrazole - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Urea - Azacycle - Oxacycle - Dialkyl ether - Ether - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Carbonyl group - Amine - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as piperazine carboxamides. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxamide group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	[(2S,5R)-2,5-dimethyl-4-(oxan-4-ylmethyl)piperazin-1-yl]-[3-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
INCHI	InChI=1S/C25H37FN8O2/c1-15-12-33(16(2)11-32(15)13-18-6-8-36-9-7-18)24(35)34-14-19-21(25(34,4)5)30-31-22(19)29-23-20(26)10-27-17(3)28-23/h10,15-16,18H,6-9,11-14H2,1-5H3,(H2,27,28,29,30,31)/t15-,16+/m1/s1
InChIKey	DKXZBPBWIGORKP-CVEARBPZSA-N
Smiles	CC1CN(C(CN1C(=O)N2CC3=C(C2(C)C)NN=C3NC4=NC(=NC=C4F)C)C)CC5CCOCC5
Isomeric SMILES	C[C@H]1CN([C@@H](CN1C(=O)N2CC3=C(C2(C)C)NN=C3NC4=NC(=NC=C4F)C)C)CC5CCOCC5
PubChem CID	25155745
Molecular Weight	500.61

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : ≥ 25 mg/mL (49.94 mM)
Molecular Weight	500.600 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	500.302 Da
Monoisotopic Mass	500.302 Da
Topological Polar Surface Area	103.000 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	783.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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