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  • 1374248-77-7 Structure
  • Basic information

    1. Product Name: Ubrogepant
    2. Synonyms: Ubrogepant;MK-1602
    3. CAS NO:1374248-77-7
    4. Molecular Formula: C29H26F3N5O3
    5. Molecular Weight: 549.54
    6. EINECS: N/A
    7. Product Categories: API
    8. Mol File: 1374248-77-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 729.4±60.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.45±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 11.08±0.20(Predicted)
    10. CAS DataBase Reference: Ubrogepant(CAS DataBase Reference)
    11. NIST Chemistry Reference: Ubrogepant(1374248-77-7)
    12. EPA Substance Registry System: Ubrogepant(1374248-77-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1374248-77-7(Hazardous Substances Data)

1374248-77-7 Usage

Uses

Ubrogepant, is a new drug possible used for the treatment of migraine.

Check Digit Verification of cas no

The CAS Registry Mumber 1374248-77-7 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,3,7,4,2,4 and 8 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 1374248-77:
(9*1)+(8*3)+(7*7)+(6*4)+(5*2)+(4*4)+(3*8)+(2*7)+(1*7)=177
177 % 10 = 7
So 1374248-77-7 is a valid CAS Registry Number.

1374248-77-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name Ubrogepant

1.2 Other means of identification

Product number -
Other names MK-1602

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1374248-77-7 SDS

1374248-77-7Downstream Products

1374248-77-7Relevant articles and documents

Calcitonin gene-related peptide (CGRP) receptor antagonist treatment of migraine

Gras

, p. 869 - 879 (2020/01/21)

Migraine is ranked as the sixth cause of years lost due to disability, with around 1.04 billion migraine sufferers globally. Triptans are considered the standard for acute migraine treatment, but an important number of migraineurs do not respond to them and these drugs are contraindicated in patients with cardiovascular disease. Migraine therapy is currently undergoing tremendous development, i.e., 5-HT1F receptor agonists (ditans), anti-calcitonin gene-related peptide (CGRP) monoclonal antibodies, and small-molecule CGRP receptor antagonists (gepants). Ubrogepant (MK-1620) is a small-molecule, potent and selective CGRP receptor antagonist. In two phase III clinical trials (ACHIEVE I and II), ubrogepant showed, at 2 hours, significant percentages of pain freedom, and absence of the most bothersome symptoms in migraine patients. In a phase III study to assess the long-term (52-week) safety and tolerability, ubrogepant displayed good tolerability, and no signs of hepatic toxicity. In March 2019, the U.S. Food and Drug Administration accepted the new drug application (NDA) for ubrogepant for the acute treatment of migraine.

Practical Asymmetric Synthesis of a Calcitonin Gene-Related Peptide (CGRP) Receptor Antagonist Ubrogepant

Yasuda, Nobuyoshi,Cleator, Ed,Kosjek, Birgit,Yin, Jianguo,Xiang, Bangping,Chen, Frank,Kuo, Shen-Chun,Belyk, Kevin,Mullens, Peter R.,Goodyear, Adrian,Edwards, John S.,Bishop, Brian,Ceglia, Scott,Belardi, Justin,Tan, Lushi,Song, Zhiguo J.,Dimichele, Lisa,Reamer, Robert,Cabirol, Fabien L.,Tang, Weng Lin,Liu, Guiquan

, p. 1851 - 1858 (2017/11/24)

The development of a scalable asymmetric route to a new calcitonin gene-related peptide (CGRP) receptor antagonist is described. The synthesis of the two key fragments was redefined, and the intermediates were accessed through novel chemistry. Chiral lactam 2 was prepared by an enzyme mediated dynamic kinetic transamination which simultaneously set two stereocenters. Enzyme evolution resulted in an optimized transaminase providing the desired configuration in >60:1 syn/anti. The final chiral center was set via a crystallization induced diastereomeric transformation. The asymmetric spirocyclization to form the second fragment, chiral spiro acid intermediate 3, was catalyzed by a novel doubly quaternized phase transfer catalyst and provided optically pure material on isolation. With the two fragments in hand, development of their final union by amide bond formation and subsequent direct isolation is described. The described chemistry has been used to deliver over 100 kg of our desired target, ubrogepant.

PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS

-

, (2012/05/21)

The present invention is directed to piperidinone carboxamide azaindane derivatives which are antagonists of CGRP receptors and useful in the treatment or prevention of diseases in which the CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

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