LCL161 - Moligand™, ≥99% , Inhibitor of baculoviral IAP repeat containing 2;Inhibitor of X-linked inhibitor of apoptosis, CAS No.1005342-46-0, Inhibitor of baculoviral IAP repeat containing 2;Inhibitor of X-linked inhibitor of apoptosis

Name: LCL161 - Moligand™, ≥99% , Inhibitor of baculoviral IAP repeat containing 2;Inhibitor of X-linked inhibitor of apoptosis, CAS No.1005342-46-0, Inhibitor of baculoviral IAP repeat containing 2;Inhibitor of X-linked inhibitor of apoptosis
Brand: Aladdin Scientific
SKU: L127178
Availability: InStock

CAS: 1005342-46-0 Cat. No.: L127178 Formule: C₂₆H₃₃FN₄O₃S Poids moléculaire: 500.63 Numéro CE: 811-361-6

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LCL161 - Moligand™, ≥99% CAS No(1005342-46-0) by Aladdin Scientific

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DISPONIBLE À COMMANDE

QUALITÉ & PURETÉ Moligand™ ? ≥99%

Synonyms

LCL 161 [WHO-DD] | (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylaminopropanamide | NCGC00378579-07 | 1005342-46-0 | N-[(1S)-1-cyclohexyl-2-{(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Fiche de spécifications

Vue d’ensemble Spécifications Noms et identifiants Documentation Données avancées Taxonomic Classification Structure 3D Cibles associées (humaines) Cibles associées (non humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques FAQ et articles Calculateurs de solution Avis

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Pourquoi cette qualité

Moligand™, ≥99% Moligand™ pour les flux de travail chromatographiques et analytiques sensibles nécessitant une interférence de ligne de base minimale.

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Stockage & expédition

Store at -20°C Expédition Ice chest + Ice pads. Consultez le COA spécifique au lot pour les spécifications exactes.

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Documents qualité

SDS, COA, fiche technique et fiche de spécifications disponibles au téléchargement. COA spécifique au lot accessible via la recherche par numéro de lot.

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Preuve documentaire

Cité dans 0 publications à comité de lecture couvrant la chromatographie, la synthèse organique et les réactions de couplage croisé.

Vue d’ensemble

LCL161, a SMAC mimetic, potently binds to and inhibits multiple IAPs (i.e. XIAP, c-IAP). Phase 2.

Spécifications

Synonymes

Spécifications et pureté

Moligand™, ≥99%

Mécanismes biochimiques et physiologiques

Description:IC50 Value: N/ALCL161 is an oral small molecule antagonist of Inhibitor of Apoptosis Proteins (IAPs) that sensitizes a subset of tumors from diverse lineages to treatment with cytotoxic therapies.in vitro: Huh-7 cells co-treated with LCL161 an

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of baculoviral IAP repeat containing 2;Inhibitor of X-linked inhibitor of apoptosis

Note

Refer to SDS for further information Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureté

≥99%

Noms et identifiants

Pubchem Sid

528765266

Sourires canoniques

CC(C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC

IUPAC Name

(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide

InChIKey

UFPFGVNKHCLJJO-SSKFGXFMSA-N

INCHI

1S/C26H33FN4O3S/c1-16(28-2)24(33)30-22(17-7-4-3-5-8-17)26(34)31-14-6-9-21(31)25-29-20(15-35-25)23(32)18-10-12-19(27)13-11-18/h10-13,15-17,21-22,28H,3-9,14H2,1-2H3,(H,30,33)/t16-,21-,22-/m0/s1

Isomères SMILES

C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC

Poids moléculaire

500.63

Reaxy-Rn

26411523

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26411523&ln=

Documentation

📋 Fiche de données de sécurité (FDS)

Document complet couvrant les dangers, la manipulation, le stockage et la conformité réglementaire.

<<<<<<< HEAD Télécharger la SDS → ======= Télécharger la SDS → >>>>>>> release248-p3

✅ Certificat d'analyse (COA)

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Résumé de référence rapide des spécifications et applications du produit.

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🔬 Fiche de spécifications

Attributs de qualité complets et critères d'acceptation pour cette qualité.

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Données avancées

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Classe Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Peptides
        Level6 Dipeptides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Classe	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Peptides
Direct Parent	Dipeptides
Alternative Parents	Aryl-phenylketones N-acyl-alpha amino acids and derivatives Alpha amino acid amides Alanine and derivatives Benzoyl derivatives N-acylpyrrolidines Fluorobenzenes 2,4-disubstituted thiazoles Aryl fluorides Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Alpha-dipeptide - Aryl-phenylketone - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzoyl - Aryl ketone - N-acylpyrrolidine - 2,4-disubstituted 1,3-thiazole - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Pyrrolidine - Thiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Ketone - Carboxamide group - Secondary amine - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
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

Structure 3D

Cibles associées (humaines)

BIRC2 Tchem Baculoviral IAP repeat-containing protein 2 (8 Activities)

Discover Target: BIRC2

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

BIRC3 Tchem Baculoviral IAP repeat-containing protein 3 (3 Activities)

Discover Target: BIRC3

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

XIAP Tchem E3 ubiquitin-protein ligase XIAP (11 Activities)

Discover Target: XIAP

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

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

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

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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

CSNK1D Tchem Casein kinase I delta (4546 Activities)

Discover Target: CSNK1D

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

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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)

Discover Target: AURKA

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

XIAP Tchem Inhibitor of apoptosis protein 3 (3673 Activities)

Discover Target: XIAP

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

AGS (1999 Activities)

Solubilité	25°C: DMSO
Poids moléculaire	500.600 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	500.226 Da
Monoisotopic Mass	500.226 Da
Topological Polar Surface Area	120.000 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	757.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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

LCL161 - Moligand™, ≥99% , Inhibitor of baculoviral IAP repeat containing 2;Inhibitor of X-linked inhibitor of apoptosis, CAS No.1005342-46-0, Inhibitor of baculoviral IAP repeat containing 2;Inhibitor of X-linked inhibitor of apoptosis

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Vue d’ensemble

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