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Details

Stereochemistry ACHIRAL
Molecular Formula C24H35NO4.2C4H4O4
Molecular Weight 633.6833
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of JTH-601

SMILES

OC(=O)\C=C\C(O)=O.OC(=O)\C=C\C(O)=O.COC1=C(CN(C)CCOC2=CC(C)=C(O)C=C2C(C)C)C(C)=C(O)C(C)=C1C

InChI

InChIKey=SZSMNSNVWDKMMN-LVEZLNDCSA-N
InChI=1S/C24H35NO4.2C4H4O4/c1-14(2)19-12-21(26)15(3)11-22(19)29-10-9-25(7)13-20-18(6)23(27)16(4)17(5)24(20)28-8;2*5-3(6)1-2-4(7)8/h11-12,14,26-27H,9-10,13H2,1-8H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

HIDE SMILES / InChI

Molecular Formula C24H35NO4
Molecular Weight 401.539
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:27:41 GMT 2023
Edited
by admin
on Sat Dec 16 10:27:41 GMT 2023
Record UNII
6GT28R35SG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
JTH-601
Common Name English
PHENOL, 3-(((2-(4-HYDROXY-5-METHYL-2-(1-METHYLETHYL)PHENOXY)ETHYL)METHYLAMINO)METHYL)-4-METHOXY-2,5,6-TRIMETHYL-, (2E)-2-BUTENEDIOATE (2:1) (SALT)
Systematic Name English
PHENOL, 3-(((2-(4-HYDROXY-5-METHYL-2-(1-METHYLETHYL)PHENOXY)ETHYL)METHYLAMINO)METHYL)-4-METHOXY-2,5,6-TRIMETHYL-, (2E)-2-BUTENEDIOATE (2:1)
Systematic Name English
Code System Code Type Description
FDA UNII
6GT28R35SG
Created by admin on Sat Dec 16 10:27:41 GMT 2023 , Edited by admin on Sat Dec 16 10:27:41 GMT 2023
PRIMARY
CAS
171277-07-9
Created by admin on Sat Dec 16 10:27:41 GMT 2023 , Edited by admin on Sat Dec 16 10:27:41 GMT 2023
PRIMARY
WEB RESOURCE
JTH 601
Created by admin on Sat Dec 16 10:27:41 GMT 2023 , Edited by admin on Sat Dec 16 10:27:41 GMT 2023
PRIMARY JTH-601 (10(-9)-3 x 10(-8) M) competitively antagonized phenylephrine-induced contraction in lower urinary tract tissues (prostate, urethra and bladder trigon) in a concentration-dependent manner. The mean pA2 values for JTH-601 were 8.59+/-0.14, 8.74+/-0.09 and 8.77+/-0.11 for prostate, urethra and bladder trigon, respectively.
PUBCHEM
119026061
Created by admin on Sat Dec 16 10:27:41 GMT 2023 , Edited by admin on Sat Dec 16 10:27:41 GMT 2023
PRIMARY
WEB RESOURCE
JTH-601
Created by admin on Sat Dec 16 10:27:41 GMT 2023 , Edited by admin on Sat Dec 16 10:27:41 GMT 2023
PRIMARY A newly synthesized alpha 1-adrenoceptor antagonist, JTH-601 (N-(3-hydroxy-6-methoxy-2,4,5-trimethylbenzyl)-N-methyl-2-(4-hydro xy-2-isopropyl-5-methyl-phenoxy) ethylamine hemifumarate) showed approximately a 10 times higher affinity for the alpha 1L group, a similar affinity for the alpha 1A subtype, but a more than 10 times lower affinity for the alpha 1B and alpha 1D subtypes when compared with prazosin. These results provide a further pharmacological evidence that alpha 1-adrenoceptors with low affinity for prazosin exist in addition to those with high affinity for prazosin, suggesting that JTH-601 may be useful for characterising the alpha 1-adrenoceptor subtypes.
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY