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Ramatroban

Ramatroban structure

CAS No:
116649-85-5
Formula:
C21H21FN2O4S
Chemical Name:
Ramatroban
Synonyms:
9H-Carbazole-9-propanoic acid,3-[[(4-fluorophenyl)sulfonyl]amino]-1,2,3,4-tetrahydro-,(3R)-;9H-Carbazole-9-propanoic acid,3-[[(4-fluorophenyl)sulfonyl]amino]-1,2,3,4-tetrahydro-,(R)-;(3R)-3-[[(4-Fluorophenyl)sulfonyl]amino]-1,2,3,4-tetrahydro-9H-carbazole-9-propanoic acid;BAY-u 3405;Ramatroban;Baynas;3-[(3R)-3-[(4-Fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

WHite to Off-White SolidRamatroban, originally developed for the treatment of cardiovascular pathologies as thromboembolism, was finally introduced in Japan for the treatment of allergic rhinitis. It is a (3R)-enantiomer that can be synthesized in 5 steps from 3-oxo-1,2,3,4- tetrahydrocarbazole by stereoselective reductive amination, using S-phenethylamine as the chiral source, followed by hydrogenolysis, sulfonylation and finally 2-step Ncarboxyethylation. Ramatroban is a potent antagonis

Ramatroban is an organic molecular entity.|Ramatroban has been used in trials studying the treatment of Asthma.

Ramatroban Basic Attributes

Molecular Weight：

416.467

Exact Mass：

416.47

UNII：

P1ALI72U6C

DSSTox ID：

DTXSID1046685

Characteristics

PSA：

96.8

XLogP3：

2.9

Appearance：

Crystalline solid.

Density：

1.43±0.1 g/cm3(Predicted)

Melting Point：

134-135°

Boiling Point：

654.7±65.0 °C(Predicted)

Flash Point：

349.7±34.3 °C

Refractive Index：

1.664

Water Solubility：

DMSO: ≥40mg/mL

Vapor Pressure：

4.94E-18mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39-45

Marks：

Stability/Shelf Life：

Stable at normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (38.71%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 62 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)

MeSH Entry Terms：

3-(4-fluorophenylsulfonamido)-1,2,3,4-tetrahydro-9-carbazole propanoic acid

Ramatroban Use and Manufacturing

A thromboxane receptor antagonist for use in the treatment of coronary artery disease.Potent dual antagonist of TP/DP 2 (CRTH2) prostanoid receptors (K i values are 4.3, 4.5 and > 10000 nM for hDP 2 , hTP and hDP 1 receptors respectively). Suppresses PGD 2 -induced migration of human eosinophils (IC 50 = 170 nM).

Computed Properties

Molecular Weight:416.5
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:416.12060649
Monoisotopic Mass:416.12060649
Topological Polar Surface Area:96.8
Heavy Atom Count:29
Complexity:689
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Ramatroban

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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Ramatroban

CAS No.: 116649-85-5

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