148869-05-0

Basic information

• Product Name: YM 511
• Synonyms: YM 511;4-[[(4-Bromophenyl)methyl]-4H-1,2,4-triazol-4-ylamino]benzonitrile
• CAS NO: 148869-05-0
• Molecular Formula: C16H12BrN5
• Molecular Weight: 354.20398
• Mol File: 148869-05-0.mol

Chemical Properties

• Boiling Point: 551.9°C at 760 mmHg
• Flash Point: 287.6°C
• Appearance: /
• Density: 1.44g/cm³
• Vapor Pressure: 3.18E-12mmHg at 25°C
• Refractive Index: 1.675
• Storage Temp.: Store at RT
• PKA: 2.42±0.10(Predicted)
• CAS DataBase Reference: YM 511(CAS DataBase Reference)
• NIST Chemistry Reference: YM 511(148869-05-0)
• EPA Substance Registry System: YM 511(148869-05-0)

Safety Data

• Hazardous Substances Data: 148869-05-0(Hazardous Substances Data)

Usage

Uses

Used in Oncology:
YM 511 is used as a therapeutic agent for the treatment of estrogenand androgen-dependent cancers. By inhibiting the enzymes aromatase and steroid sulfatase, YM 511 effectively reduces the levels of estrogen and androgen, which are known to promote the growth and progression of hormone-dependent cancers. This targeted approach may provide a more effective and specific treatment option for patients suffering from these types of cancers.
Additionally, YM 511's dual inhibition mechanism may also enhance the efficacy of conventional chemotherapeutic drugs, potentially improving treatment outcomes and reducing the risk of drug resistance in cancer patients. Further research and clinical trials are necessary to fully understand the potential benefits and limitations of YM 511 in the context of cancer treatment.

InChI:InChI=1/C16H12BrN5/c17-15-5-1-14(2-6-15)10-22(21-11-19-20-12-21)16-7-3-13(9-18)4-8-16/h1-8,11-12H,10H2

Upstream product

• 589-15-1 1-bromomethyl-4-bromobenzene 
• 148869-66-3 4-[N-(1,2,4-triazol-4-yl)amino]benzonitrile 
• 1194-02-1 4-fluorobenzonitrile 

Relevant articles and documents

4-(((4-Iodophenyl)methyl)-4H-1,2,4-triazol-4-ylamino)-benzonitrile: A Potential Imaging Agent for Aromatase

Aromatase (CYP19) is a rate-limiting enzyme that catalyzes the biosynthesis of estrogens. Imaging agents based on aromatase inhibitors (AIs) have been developed for a PET/SPECT study. A series of compounds was synthesized based on YM511, which has previou

LABELING COMPOUND FOR PET

A labeling compound of the present invention includes a structure represented by formula (1) wherein X1 is 11CH3, CH218F, CF218F, 18F, 76Br or 124/sup

Dual aromatase-steroid sulfatase inhibitors

By introducting the steroid sulfatase inhibitory pharmacophore into aromatase inhibitor 1 (YM511), two series of single agent dual aromatase-sulfatase inhibitors (DASIs) were generated. The best DASIs in'vitro (JEG-3 cells) are 5, (IC50(aromatase) = 0.82 nM; IC 50(sulfatase) = 39 nM), and 14, (IC50(aromatase) = 0.77 nM; IC50(sulfatase) = 590 nM). X-ray crystallography of 5, and docking studies of selected compounds into an aromatase homology model and the steroid sulfatase crystal structure are presented. Both 5 and 14 inhibit aromatase and sulfatase in PMSG pretreated adult female Wistar rats potently 3 h after a single oral 10 mg/kg dose. Almost complete dual inhibition is observed for 5 but the levels were reduced to 85% (aromatase) and 72% (sulfatase) after 24 h. DASI 5 did not inhibit aldosterone synthesis. The development of a potent and selective DASI should allow the therapeutic potential of dual aromatase-sulfatase inhibition in hormone-dependent breast cancer to be assessed.

Triazolylated teritiary amine compound or salt thereof

A triazolylated tertiary amine compound represented by general formula (I) or a salt thereof, having an aromatase inhibitory activity and being useful for preventing and treating breast cancer, mastopathy, endometriosis, prostatomergaly, etc., wherein A represents a single bond, lower alkylene or carbonyl; B represents lower alkyl, aryl, a 5- or 6-membered heterocyclic group, or a bicyclic fused heterocyclic group; D represents aryl, a 5- or 6-membered heterocyclic group, or a bicyclic fused heterocyclic group; and E represents 4H-1,2,4-triazolyl, 1H-1,2,4-triazolyl or 1H-1,2,3-triazolyl.

Studies on aromatase inhibitors. I. Synthesis and biological evaluation of 4-amino-4H-1,2,4-triazole derivatives

Various 4-N-substituted amino-4H-1,2,4-triazole derivatives were synthesized and evaluated for aromatase-inhibitory activity (in vitro) and for pregnant mare serum gonadotropin (PMSG)-induced estrogen synthesis- inhibitory activity (in vivo). The 4-(4-cya