PROTAC ERα Degrader-2 - ≥98% , CAS No.1351169-29-3

CAS: 1351169-29-3 Cat. No.: P650778 Formule: C₄₂H₆₁N₅O₈ Poids moléculaire: 763.96 PubChem CID: 54764406

GRADE & PURITY ≥98%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Application

PROTAC

Vue d’ensemble

PROTAC ERα Degrader-2 comprises a IAP ligand binding group, a linker and an estrogen receptor α ( ERα ) binding group. PROTAC ERα Degrader-2 is an ERα degrader. Maximal ERα degradation at 30 μM concentration in human mammary tumor MCF7 cells. Degradation inducers based on cIAP1 are called specific and non-genetic IAP-dependent protein erasers ( SNIPER s)

Form:Solid

IC50& Target:ERα cIAP1

Specifications

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

PROTAC ERα Degrader-2 comprises a IAP ligand binding group, a linker and an estrogen receptor α ( ERα ) binding group. PROTAC ERα Degrader-2 is an ERα degrader. Maximal ERα degradation at 30 μM concentration in human mammary tumor MCF7 cells. Degradation

Conditions de stockage de stockage

Store at -20°C,Argon charged

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.

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

Sourires canoniques

CC(C)CC(C(=O)NCCOCCOCCNC(=O)CON=C1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C)NC(=O)C(C(CC5=CC=CC=C5)N)O

IUPAC Name

(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-N-[2-[2-[2-[[2-[(E)-[(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]amino]oxyacetyl]amino]ethoxy]ethoxy]ethyl]-4-methylpentanamide

InChIKey

MMDOSMHAAYKBET-UTCZBAMKSA-N

INCHI

1S/C42H61N5O8/c1-27(2)23-36(46-41(52)39(50)35(43)24-28-7-5-4-6-8-28)40(51)45-18-20-54-22-21-53-19-17-44-38(49)26-55-47-37-14-13-34-33-11-9-29-25-30(48)10-12-31(29)32(33)15-16-42(34,37)3/h4-8,10,12,25,27,32-36,39,48,50H,9,11,13-24,26,43H2,1-3H3,(H,44,49)(H,45,51)(H,46,52)/b47-37+/t32-,33-,34+,35-,36+,39+,42+/m1/s1

Isomères SMILES

CC(C)C[C@@H](C(=O)NCCOCCOCCNC(=O)CO/N=C/1\CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C)NC(=O)[C@H]([C@@H](CC5=CC=CC=C5)N)O

PubChem CID

54764406

Poids moléculaire

763.96

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Peptidomimetics
      • Subclass Hybrid peptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Peptidomimetics
• Subclass: Hybrid peptides
• Intermediate Tree Nodes: Not available
• Direct Parent: Hybrid peptides
• Alternative Parents: Estrogens and derivatives 3-hydroxysteroids Phenanthrenes and derivatives Leucine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Beta amino acids and derivatives Tetralins Amphetamines and derivatives Aralkylamines 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Monosaccharides Oxime ethers Secondary carboxylic acid amides Secondary alcohols Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Hybrid peptide - Estrogen-skeleton - 3-hydroxysteroid - Hydroxysteroid - Estrane-skeleton - Steroid - Phenanthrene - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Beta amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Tetralin - Amphetamine or derivatives - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - Monosaccharide - N-acyl-amine - Oxime ether - Secondary alcohol - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Ether - Dialkyl ether - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Primary aliphatic amine - Organic oxide - Amine - Primary amine - Organonitrogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : 200 mg/mL (261.79 mM; Need ultrasonic)

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1351169-29-3, the molecular formula is C42H61N5O8, and the molecular weight is 763.96 g/mol. InChIKey MMDOSMHAAYKBET-UTCZBAMKSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.