DKFZ‐251 - Moligand™, ≥98% , Inhibitor of kallikrein related peptidase 6, CAS No.2222059-70-1, Inhibitor of kallikrein related peptidase 6

CAS: 2222059-70-1 Cat. No.: D609919 Fórmula: C₂₄H₂₄N₄O₃ Peso molecular: 416.47

GRADE & PURITY Moligand™, ≥98%

Synonyms

compound 11

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

compound 11

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

DKFZ-251 is a potent inhibitor of kallikrein-related peptidase 6 with on-target cellular activity. DKFZ-251 demonstrated good selectivity for KLK6 compared to other KLKs, and on-target activity in a cellular assay.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of kallikrein related peptidase 6

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 528764129
• Sonrisas canónicas: O=C(Nc1c(C)nn(c1C)c1ccccc1)COC(=O)Cc1c(C)[nH]c2c1cccc2
• IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(2-methyl-1H-indol-3-yl)acetate
• InChIKey: OWHVQGGLXPNNBI-UHFFFAOYSA-N
• INCHI: 1S/C24H24N4O3/c1-15-20(19-11-7-8-12-21(19)25-15)13-23(30)31-14-22(29)26-24-16(2)27-28(17(24)3)18-9-5-4-6-10-18/h4-12,25H,13-14H2,1-3H3,(H,26,29)
• Isómeros SMILES: CC1=C(C2=CC=CC=C2N1)CC(=O)OCC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C
• Peso molecular: 416.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indolyl carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indolyl carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indole-3-acetic acid derivatives
• Alternative Parents: Phenylpyrazoles 3-alkylindoles N-arylamides Substituted pyrroles Benzene and substituted derivatives Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole-3-acetic acid derivative - Phenylpyrazole - 3-alkylindole - Indole - N-arylamide - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Pyrazole - Azole - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.
• 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

Objetivos asociados (humanos)

KLK6 Tchem Kallikrein-6 (2 Activities)

Discover Target: KLK6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KLK7 Tchem Kallikrein 7 (657 Activities)

Discover Target: KLK7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KLK3 Tclin Prostate specific antigen (150 Activities)

Discover Target: KLK3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KLK8 Tchem Kallikrein 8 (46 Activities)

Discover Target: KLK8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KLK13 Tchem Kallikrein 13 (14 Activities)

Discover Target: KLK13

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KLK14 Tchem Kallikrein 14 (94 Activities)

Discover Target: KLK14

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KLK4 Tchem Kallikrein 4 (51 Activities)

Discover Target: KLK4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KLK5 Tchem Kallikrein 5 (307 Activities)

Discover Target: KLK5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KLK6 Tchem Kallikrein 6 (143 Activities)

Discover Target: KLK6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CAL-27 (814 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Trypsin (394 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Referencias

1. An Zhengfang, Gu Xiaoxu, Liu Yue, Ge Jingyan, Zhu Qing.  (2017)  Bioproduction of l-2-Aminobutyric Acid by a Newly-Isolated Strain of Aspergillus tamarii ZJUT ZQ013.  CATALYSIS LETTERS,  147  (4): (837-844).  [PMID:] [10.1007/s10562-017-1999-3]

2. Miao Liang, Yajian Wu, Rui Wang, Zhimin Zhang, Runhu Xin, Yuping Liu.  (2024)  Insights into the key odorants in fresh and dried Amomum tsaoko using the sensomics approach.  Food Chemistry-X,      [PMID:38595757] [10.1016/j.fochx.2024.101344]