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Details

Stereochemistry ACHIRAL
Molecular Formula C19H29N3O2.ClH
Molecular Weight 367.913
Optical Activity NONE
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BATEBULAST HYDROCHLORIDE

SMILES

Cl.CC(C)(C)C1=CC=C(OC(=O)[C@H]2CC[C@H](CNC(N)=N)CC2)C=C1

InChI

InChIKey=RBXZATCLMSBPGG-SKKCDYJJSA-N
InChI=1S/C19H29N3O2.ClH/c1-19(2,3)15-8-10-16(11-9-15)24-17(23)14-6-4-13(5-7-14)12-22-18(20)21;/h8-11,13-14H,4-7,12H2,1-3H3,(H4,20,21,22);1H/t13-,14-;

HIDE SMILES / InChI

Molecular Formula C19H29N3O2
Molecular Weight 331.4525
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Batebulast (NCO-650) is an anti-allergic drug. It significantly inhibited both the initial and secondary increases in cAMP stimulated by antigen, anti-IgE and concanavalin A (Con A) in rat peritoneal mast cells. It strongly inhibited the incorporation of the 3H-methyl moiety into phospholipid by antigen, anti-IgE and Con A during histamine release. Batebulast significantly inhibited the compound 48/80-induced bronchoconstriction in dogs. Batebulast had no effect on the bronchoconstriction induced by inhalation of acetylcholine, suggesting that NCO-650 appears to have no anti-cholinergic effect and thus no effect on the vagal reflex that occurred during the asthmatic responses. NCO-650 may be useful for the treatment of bronchial asthma as an orally active drug. Batebulast has been in phase II clinical trials for the treatment of asthma in Japan. However, this research has been discontinued.

Approval Year

Sample Use Guides

In Vivo Use Guide
Curator's Comment: Dog data
Intravenous dose - 1 and 5 mg/kg and Intraduodenal - 10, 30 and 100 mg/kg
Route of Administration: Other
Substance Class Chemical
Created
by admin
on Sat Dec 16 18:07:15 GMT 2023
Edited
by admin
on Sat Dec 16 18:07:15 GMT 2023
Record UNII
9MAH4PFE2A
Record Status Validated (UNII)
Record Version
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Name Type Language
BATEBULAST HYDROCHLORIDE
Common Name English
NCO-650
Code English
CYCLOHEXANECARBOXYLIC ACID, 4-(((AMINOIMINOMETHYL)AMINO)METHYL)-, 4-(1,1-DIMETHYLETHYL)PHENYL ESTER, HYDROCHLORIDE (1:1), TRANS-
Systematic Name English
BATEBULAST HYDROCHLORIDE [JAN]
Common Name English
CYCLOHEXANECARBOXYLIC ACID, 4-(((AMINOIMINOMETHYL)AMINO)METHYL)-, 4-(1,1-DIMETHYLETHYL)PHENYL ESTER, MONOHYDROCHLORIDE, TRANS-
Systematic Name English
NCO650
Code English
Code System Code Type Description
CAS
83373-31-3
Created by admin on Sat Dec 16 18:07:15 GMT 2023 , Edited by admin on Sat Dec 16 18:07:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID701003369
Created by admin on Sat Dec 16 18:07:15 GMT 2023 , Edited by admin on Sat Dec 16 18:07:15 GMT 2023
PRIMARY
FDA UNII
9MAH4PFE2A
Created by admin on Sat Dec 16 18:07:15 GMT 2023 , Edited by admin on Sat Dec 16 18:07:15 GMT 2023
PRIMARY
Related Record Type Details
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