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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H47NO3.C6H8O7
Molecular Weight 697.8562
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAS-108

SMILES

CCN(CC)Cc1ccc(c(c1)OC)OCC[C@@]2([H])CC[C@@]3([H])[C@]4([H])[C@]([H])(C)Cc5cc(ccc5[C@@]4([H])CC[C@]23C)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChIKey=VOHOCSJONOJOSD-SCIDSJFVSA-N
InChI=1S/C33H47NO3.C6H8O7/c1-6-34(7-2)21-23-8-13-30(31(19-23)36-5)37-17-15-25-9-12-29-32-22(3)18-24-20-26(35)10-11-27(24)28(32)14-16-33(25,29)4;7-3(8)1-6(13,5(11)12)2-4(9)10/h8,10-11,13,19-20,22,25,28-29,32,35H,6-7,9,12,14-18,21H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t22-,25-,28-,29+,32-,33-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C33H47NO3
Molecular Weight 505.7324
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C6H8O7
Molecular Weight 192.1238
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

TAS-108 (also known as SR-16234) is a selective estrogen receptor modulator (SERM) and has been reported to have estrogen receptor (ER) α antagonistic activity and a strong affinity with a weak partial agonistic activity to ERβ receptor. It is known that ERs play a central role in the diverse actions of estrogen. TAS-108 was studied in phase II clinical trials to treat recurrent or recurrent inoperable breast cancer. In addition, TAS-108 participated in Japan in a phase II clinical trial in Endometriosis patients. The phase III studies are being planned with the drug.

Approval Year

PubMed

PubMed

TitleDatePubMed
TAS-108, a novel oral steroidal antiestrogenic agent, is a pure antagonist on estrogen receptor alpha and a partial agonist on estrogen receptor beta with low uterotrophic effect.
2005 Jan 1

Sample Use Guides

TAS-108 was administered daily at a dose of 40 mg, 80 mg, or 120 mg to postmenopausal patients with locally advanced, or inoperable, or metastatic hormone-receptor positive breast cancer
Route of Administration: Oral
Substance Class Chemical
Created
by admin
on Sat Jun 26 01:29:37 UTC 2021
Edited
by admin
on Sat Jun 26 01:29:37 UTC 2021
Record UNII
9B29N23K7E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TAS-108
Code English
TAS-108 CITRATE
Code English
19-NORPREGNA-1,3,5(10)-TRIEN-3-OL, 21-(4-((DIETHYLAMINO)METHYL)-2-METHOXYPHENOXY)-7-METHYL-, (7.ALPHA.)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1) (SALT)
Systematic Name English
HLX-801
Code English
SR-16234
Code English
Classification Tree Code System Code
NCI_THESAURUS C481
Created by admin on Sat Jun 26 01:29:37 UTC 2021 , Edited by admin on Sat Jun 26 01:29:37 UTC 2021
Code System Code Type Description
FDA UNII
9B29N23K7E
Created by admin on Sat Jun 26 01:29:37 UTC 2021 , Edited by admin on Sat Jun 26 01:29:37 UTC 2021
PRIMARY
NCI_THESAURUS
C61494
Created by admin on Sat Jun 26 01:29:37 UTC 2021 , Edited by admin on Sat Jun 26 01:29:37 UTC 2021
PRIMARY NCIT
CAS
229634-98-4
Created by admin on Sat Jun 26 01:29:37 UTC 2021 , Edited by admin on Sat Jun 26 01:29:37 UTC 2021
PRIMARY
PUBCHEM
9874874
Created by admin on Sat Jun 26 01:29:37 UTC 2021 , Edited by admin on Sat Jun 26 01:29:37 UTC 2021
PRIMARY
DRUG BANK
DB05966
Created by admin on Sat Jun 26 01:29:37 UTC 2021 , Edited by admin on Sat Jun 26 01:29:37 UTC 2021
PRIMARY
WIKIPEDIA
TAS-108
Created by admin on Sat Jun 26 01:29:37 UTC 2021 , Edited by admin on Sat Jun 26 01:29:37 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY