L-JNKi 1 trifluoroacetate salt - ≥95% , c-Jun N-terminal kinase 3 inhibitor, CAS No.1445179-97-4 D-isomer, c-Jun N-terminal kinase 3 inhibitor

CAS: 1445179-97-4 D-isomer Cat. No.: L341446 Peso molecular: 3822.5 PubChem CID: 90479374

GRADE & PURITY ≥95%

Synonyms

BRIMAPITIDE [WHO-DD] | AM-111;XG-102 | F85334 | BRIMAPITIDE [INN] | 2K30142185 | brimapitide | DB15231 | XG-102 | 1445179-97-4 | D-Asp-D-gln-D-ser-D-arg-D-pro-D-val-D-gln-D-pro-D-phe-D-leu-D-asn-D-leu-D-thr-D-thr-D-pro-D-arg-D-lys-D-pro-D-arg-D-pro-D-pro-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

L-JNKi1 is a protease resistant, potent inhibitor specific for JNK (JNK1, JNK2 and JNK3). L-JNKi 1 does not directly affect kinase activity e.g. by competing with the ATP-binding site of the protein kinase, rather L-JNKi1 inhibits the interaction between JNK and its substrate, resulting in a JNK K.O. phenotype. In contrast to pure diffusion they are actively transported into cells, where they remain until their proteolytic degradation. The c-Jun N-terminal kinases (JNK1, 2, 3), members of the mitogen-activated protein kinase (MAPK) superfamily, are activated by a wide variety of extracellular stimuli such as inflammatory cytokines, heat shock and ischemia.

Specifications

Sinónimos

BRIMAPITIDE [WHO-DD] | AM-111;XG-102 | F85334 | BRIMAPITIDE [INN] | 2K30142185 | brimapitide | DB15231 | XG-102 | 1445179-97-4 | D-Asp-D-gln-D-ser-D-arg-D-pro-D-val-D-gln-D-pro-D-phe-D-leu-D-asn-D-leu-D-thr-D-thr-D-pro-D-arg-D-lys-D-pro-D-arg-D-pro-D-pro-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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Tipo de acción

INHIBITOR

Mecanismo de acción

c-Jun N-terminal kinase 3 inhibitor

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N2CCCC2C(=O)NC(CCCNC(=N)N)C(=O)N3CCCC3C(=O)N4CCCC4C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)N)NC(=O)C(CC5=CC=CC=C5)NC(=O)C6CCCN6C(=O)C(CCC(=O)N)NC(=O)C(C(C)C)NC(=O)C7CCCN7C(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)O)N
• IUPAC Name: (3R)-3-amino-4-[[(2R)-5-amino-1-[[(2R)-1-[[(2R)-1-[(2R)-2-[[(2R)-1-[[(2R)-5-amino-1-[(2R)-2-[[(2R)-1-[[(2R)-1-[[(2R)-4-amino-1-[[(2R)-1-[[(2R,3S)-1-[[(2R,3S)-1-[(2R)-2-[[(2R)-1-[[(2R)-6-amino-1-[(2R)-2-[[(2R)-1-[(2R)-2-[(2R)-2-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-5-amino-1-[[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(2R)-6-amino-1-[[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid
• InChIKey: BAAXVYBAMNDCIB-BMCUWHFPSA-N
• INCHI: 1S/C164H286N66O40/c1-84(2)77-106(217-139(254)108(79-89-33-10-9-11-34-89)220-146(261)112-48-28-72-226(112)153(268)105(55-58-119(171)236)216-148(263)123(86(5)6)222-147(262)115-51-29-73-227(115)151(266)103(45-25-69-199-163(188)189)214-142(257)110(83-231)221-137(252)100(53-56-117(169)234)202-126(241)90(168)80-122(239)240)138(253)219-109(81-120(172)237)140(255)218-107(78-85(3)4)141(256)223-124(87(7)232)149(264)224-125(88(8)233)155(270)229-75-31-50-114(229)144(259)212-99(44-24-68-198-162(186)187)135(250)213-102(37-14-17-61-167)150(265)225-71-27-47-111(225)145(260)215-104(46-26-70-200-164(190)191)152(267)230-76-32-52-116(230)154(269)228-74-30-49-113(228)143(258)211-98(43-23-67-197-161(184)185)134(249)208-95(40-20-64-194-158(178)179)131(246)207-97(42-22-66-196-160(182)183)133(248)210-101(54-57-118(170)235)136(251)209-96(41-21-65-195-159(180)181)132(247)206-94(39-19-63-193-157(176)177)130(245)205-93(36-13-16-60-166)129(244)204-92(35-12-15-59-165)128(243)203-91(38-18-62-192-156(174)175)127(242)201-82-121(173)238/h9-11,33-34,84-88,90-116,123-125,231-233H,12-32,35-83,165-168H2,1-8H3,(H2,169,234)(H2,170,235)(H2,171,236)(H2,172,237)(H2,173,238)(H,201,242)(H,202,241)(H,203,243)(H,204,244)(H,205,245)(H,206,247)(H,207,246)(H,208,249)(H,209,251)(H,210,248)(H,211,258)(H,212,259)(H,213,250)(H,214,257)(H,215,260)(H,216,263)(H,217,254)(H,218,255)(H,219,253)(H,220,261)(H,221,252)(H,222,262)(H,223,256)(H,224,264)(H,239,240)(H4,174,175,192)(H4,176,177,193)(H4,178,179,194)(H4,180,181,195)(H4,182,183,196)(H4,184,185,197)(H4,186,187,198)(H4,188,189,199)(H4,190,191,200)/t87-,88-,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,123+,124+,125+/m0/s1
• Isómeros SMILES: C[C@@H]([C@H](C(=O)N[C@H]([C@H](C)O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)N3CCC[C@@H]3C(=O)N4CCC[C@@H]4C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(=O)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)[C@H]6CCCN6C(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H](C(C)C)NC(=O)[C@H]7CCCN7C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CO)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H](CC(=O)O)N)O
• PubChem CID: 90479374
• Peso molecular: 3822.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic Polymers
    • Clase Polypeptides

• Kingdom: Organic compounds
• Superclass: Organic Polymers
• Clase: Polypeptides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polypeptides
• Alternative Parents: Peptides Arginine and derivatives Phenylalanine and derivatives Glutamine and derivatives Aspartic acid and derivatives Leucine and derivatives Asparagine and derivatives Proline and derivatives N-acyl-alpha amino acids and derivatives Valine and derivatives Serine and derivatives Alpha amino acid amides Amphetamines and derivatives N-acylpyrrolidines Pyrrolidinecarboxamides N-acyl amines Tertiary carboxylic acid amides Primary carboxylic acid amides Guanidines Secondary alcohols Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboximidamides Carboxylic acids Organopnictogen compounds Imines Monoalkylamines Carbonyl compounds Organic oxides Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polypeptide - Alpha peptide - Arginine or derivatives - Phenylalanine or derivatives - Glutamine or derivatives - Asparagine or derivatives - Leucine or derivatives - Aspartic acid or derivatives - N-acyl-alpha amino acid or derivatives - Valine or derivatives - Proline or derivatives - Alpha-amino acid amide - Serine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Amphetamine or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Primary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Carboxamide group - Amino acid - Guanidine - Organoheterocyclic compound - Carboximidamide - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Amine - Imine - Organic nitrogen compound - Primary aliphatic amine - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary alcohol - Primary amine - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.
• External Descriptors: Not available

Data sources

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

Propiedades químicas y físicas

• Solubilidad: Soluble in water (>1 mg/mL).