UT-34 - ≥99% , CAS No.2168525-92-4

CAS: 2168525-92-4 Cat. No.: U414245 Formule: C₁₅H₁₂F₄N₄O₂ Poids moléculaire: 356.27 PubChem CID: 132214622

QUALITÉ & PURETÉ ≥99%

Synonyms

1H-​Pyrazole-​1-​propanamide,N-​[4-​cyano-​3-​(trifluoromethyl)​phenyl]​-​4-​fluoro-​α-​hydroxy-​α-​methyl-​,(αS)​-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

UT-34 UT-34 is a potent, selective and orally bioavailable second-generation androgen receptor (AR) pan antagonist and degrader with IC50 of 203.46 nM, 80.78 nM and 94.17 nM for wild-type, T877A and W741L AR, respectively. UT-34 is a potential next-generation therapeutic for enzalutamide-resistant prostate cancer.

Targets

AR-T877A (Cell-free assay); AR-W741L (Cell-free assay); AR-WT (Cell-free assay) 80.78 nM; 94.17 nM; 203.46 nM

In vitro

UT-34 inhibits the wild-type and LBD-mutant ARs comparably and inhibits the in vitro proliferation. UT-34 promotes a conformation that is distinct from the LBD-binding competitive antagonist enzalutamide and degrades the AR through the ubiquitin proteasome mechanism. UT-34 has a broad safety margin and exhibits no cross-reactivity with Gprotein-coupled receptor kinase and nuclear receptor family members.

In vivo

UT-34 inhibits the wild-type and LBD-mutant ARs comparably and inhibits the in vivo growth of enzalutamide-sensitive and -resistant prostate cancer xenografts. In preclinical models, UT-34 induces the regression of enzalutamide-resistant tumors at doses when the AR is degraded; but, at lower doses, when the AR is just antagonized, it inhibits, without shrinking, the tumors.

Cell Research(from reference)

Cell lines：LNCaP, PC-3, HEK-293, ZR-75-1, MDA-MB-453, VCaP, 22RV1, and COS7 cell lines 

Concentrations：0.1 μM, 1 μM, 10 μM 

Incubation Time：30 min, 24 h, 48 h 

Spécifications

Synonymes

1H-​Pyrazole-​1-​propanamide,N-​[4-​cyano-​3-​(trifluoromethyl)​phenyl]​-​4-​fluoro-​α-​hydroxy-​α-​methyl-​,(αS)​-

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

UT-34 is a potent, selective and orally bioavailable second-generation androgen receptor (AR) pan antagonist and degrader with IC50 of 203.46 nM, 80.78 nM and 94.17 nM for wild-type, T877A and W741L AR, respectively. UT-34 is a potential next-generation t

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.

Type d'action

DEGRADER

Pureté

≥99%

Propriétés du produit

ALogP

2.05

Nombre de HBD

1

Liaison rotative

5

Noms et identifiants

Pubchem Sid

488202768

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488202768

Sourires canoniques

CC(CN1C=C(C=N1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O

IUPAC Name

(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoropyrazol-1-yl)-2-hydroxy-2-methylpropanamide

InChIKey

YDRMSDHDYRAUBR-AWEZNQCLSA-N

INCHI

1S/C15H12F4N4O2/c1-14(25,8-23-7-10(16)6-21-23)13(24)22-11-3-2-9(5-20)12(4-11)15(17,18)19/h2-4,6-7,25H,8H2,1H3,(H,22,24)/t14-/m0/s1

Isomères SMILES

C[C@](CN1C=C(C=N1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O

PubChem CID

132214622

Poids moléculaire

356.27

Cibles associées (humaines)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

PGR Tclin Progesterone receptor (8562 Activities)

Discover Target: PGR

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

NR3C2 Tclin Mineralocorticoid receptor (2134 Activities)

Discover Target: NR3C2

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

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

LNCaP (8286 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro DMSO: 71 mg/mL (199.28 mM); Ethanol: 71 mg/mL (199.28 mM); Water: Insoluble
• DMSO (mg/mL) Solubilité maximale: 71
• DMSO (mM) Solubilité maximale: 199.287057568698
• Eau (mg/mL) Solubilité maximale: ＜1
• Poids moléculaire: 356.270 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 356.09 Da
• Monoisotopic Mass: 356.09 Da
• Topological Polar Surface Area: 90.900 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 549.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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