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TCS 21311 - ≥98%(HPLC), high purity , CAS No.1260181-14-3

COA COA
In stock
Item Number
T287291
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T287291-1mg
1mg
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$52.90
T287291-5mg
5mg
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$171.90
T287291-10mg
10mg
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$289.90
T287291-25mg
25mg
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$569.90
T287291-50mg
50mg
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$999.90
T287291-100mg
100mg
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$1,599.90
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Bulk Order  SDS  DATASHEET  Specification Sheet

Potent JAK3 inhibitor. Also inhibits GSK-3β and PKC

View related series
Epigenetics (1496) GSK-3 (104) Histone Modification (1379) JAK (149) JAK/STAT Signaling (507) Non-receptor Tyrosine Kinase (643) PI3K/Akt/mTOR (765) PKC (132) Protein Tyrosine Kinase/RTK (1314) Stem Cell/Wnt (1019) TGF-beta/Smad (303)

Basic Description

Synonyms NIBR3049 | NIBR-3049 | J-005320 | 3-[5-[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]-2-(trifluoromethyl)phenyl]-4-(1H-indol-3-yl)pyrrole-2,5-dione | FT-0674827 | CS-0027898 | 1260181-14-3 | JAK3/GSK-3beta/PKCalpha Inhibitor - CAS 1260181-14-3 | CLGRAWDG
Specifications & Purity Moligand™, ≥98%
Biochemical and Physiological Mechanisms Potent JAK3 inhibitor (IC50= 8 nM). Selective for JAK3 over JAK1, JAK2 and TYK2 (IC50values are 1017, 2550 and 8055 nM respectively). Also inhibits GSK-3β, PKCαand PKCθ(IC50values are 3, 13 and 68 nM respectively).
Storage Temp Protected from light,Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Product Description

TCS 21311 (NIBR3049) is a potent, highly selective JAK3 inhibitor with an IC50 of 8 nM, it displays >100-fold selectivity over JAK1, JAK2 and TYK2. TCS 21311 (NIBR3049) inhibits PKCα, PKCθ, and GSK3β with IC50s of 13, 68, and 3 nM, respectively.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Diazinanes
Subclass Piperazines
Intermediate Tree Nodes Not available
Direct Parent Phenylpiperazines
Alternative Parents N-arylpiperazines  Trifluoromethylbenzenes  Indoles  Aniline and substituted anilines  Dialkylarylamines  Maleimides  Substituted pyrroles  N-unsubstituted carboxylic acid imides  Pyrrolines  Heteroaromatic compounds  Dicarboximides  Tertiary alcohols  Tertiary carboxylic acid amides  Amino acids and derivatives  Azacyclic compounds  Organic oxides  Alkyl fluorides  Hydrocarbon derivatives  Carbonyl compounds  Organofluorides  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Phenylpiperazine - N-arylpiperazine - Trifluoromethylbenzene - Indole - Indole or derivatives - Dialkylarylamine - Aniline or substituted anilines - Maleimide - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Tertiary carboxylic acid amide - Tertiary alcohol - Heteroaromatic compound - Pyrroline - Pyrrole - Carboxylic acid imide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Alcohol - Organic oxide - Amine - Alkyl fluoride - Alkyl halide - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
External Descriptors Not available

Associated Targets(Human)

JAK3 Tclin Tyrosine-protein kinase JAK3 (5 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
GSK3B Tclin Glycogen synthase kinase-3 beta (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
PRKCA Tchem Protein kinase C alpha type (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
JAK3 Tclin Tyrosine-protein kinase JAK3 (8349 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
JAK1 Tclin Tyrosine-protein kinase JAK1 (8569 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
JAK2 Tclin Tyrosine-protein kinase JAK2 (12915 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PRKCA Tchem Protein kinase C alpha (5923 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PRKCQ Tchem Protein kinase C theta (3319 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TYK2 Tclin Tyrosine-protein kinase TYK2 (5029 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Caco-2 (12174 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
U2OS (164939 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Jurkat (10389 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PBMC (10003 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
JAK3 Tclin JAK3/JAK1 (270 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
JAK1 Tclin JAK1/JAK2/TYK2 (47 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
JAK1 Tclin JAK1/TYK2 (259 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK-293T (167025 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CTLL (28 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 3-[5-[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]-2-(trifluoromethyl)phenyl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
INCHI InChI=1S/C27H25F3N4O4/c1-26(2,38)25(37)34-11-9-33(10-12-34)15-7-8-19(27(28,29)30)17(13-15)21-22(24(36)32-23(21)35)18-14-31-20-6-4-3-5-16(18)20/h3-8,13-14,31,38H,9-12H2,1-2H3,(H,32,35,36)
InChIKey CLGRAWDGLMENOD-UHFFFAOYSA-N
Smiles CC(C)(C(=O)N1CCN(CC1)C2=CC(=C(C=C2)C(F)(F)F)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)O
Isomeric SMILES CC(C)(C(=O)N1CCN(CC1)C2=CC(=C(C=C2)C(F)(F)F)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)O
PubChem CID 50925411
Molecular Weight 526.51

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

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

Chemical and Physical Properties

Solubility Solvent:DMSO, Max Conc. mg/mL: 52.65, Max Conc. mM: 100
Sensitivity light sensitive
Molecular Weight 526.500 g/mol
XLogP3 2.900
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 4
Exact Mass 526.183 Da
Monoisotopic Mass 526.183 Da
Topological Polar Surface Area 106.000 Ų
Heavy Atom Count 38
Formal Charge 0
Complexity 1000.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

Solution Calculators

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