TL-310

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H55NO16
Molecular Weight	865.9153
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(=O)C4CC4)C5=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C6=CC=CC=C6)[C@]3([H])[C@@]1(CO2)OC(C)=O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OCC(C)C)C7=CC=CO7

InChI

InChIKey=VLNULAHOGSXBDZ-OAGWZNDDSA-N

InChI=1S/C45H55NO16/c1-22(2)20-57-41(54)46-32(27-14-11-17-56-27)33(49)40(53)59-28-19-45(55)37(61-39(52)25-12-9-8-10-13-25)35-43(7,29(48)18-30-44(35,21-58-30)62-24(4)47)36(50)34(60-38(51)26-15-16-26)31(23(28)3)42(45,5)6/h8-14,17,22,26,28-30,32-35,37,48-49,55H,15-16,18-21H2,1-7H3,(H,46,54)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C45H55NO16
Molecular Weight	865.9153
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:03:25 GMT 2023` Edited by `admin` on `Sat Dec 16 01:03:25 GMT 2023`
Record UNII	JK7XY84JEE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TL-310

Code

English

(2AR,4S,4AS,6R,9S,11S,12S,12AR,12BS)-12B-(ACETYLOXY)-12-(BENZOYLOXY)-6-((CYCLOPROPYLCARBONYL)OXY)-2A,3,4,4A,5,6,9,10,11,12,12A,12B-DODECAHYDRO-4,11-DIHYDROXY-4A,8,13,13-TETRAMETHYL-5-OXO-7,11-METHANO-1H-CYCLODECA(3,4)BENZ(1,2-B)OXET-9-YL (.ALPHA.R,.BETA.

Systematic Name

English

2-FURANPROPANOIC ACID, .ALPHA.-HYDROXY-.BETA.-(((2-METHYLPROPOXY)CARBONYL)AMINO)-, (2AR,4S,4AS,6R,9S,11S,12S,12AR,12BS)-12B-(ACETYLOXY)-12-(BENZOYLOXY)-6-((CYCLOPROPYLCARBONYL)OXY)-2A,3,4,4A,5,6,9,10,11,12,12A,12B-DODECAHYDRO-4,11-DIHYDROXY-4A,8,13,13-TE

Systematic Name

English

TL310

Code

English

Code System Code Type Description

SMS_ID

300000042372

Created by admin on Sat Dec 16 01:03:25 GMT 2023 , Edited by admin on Sat Dec 16 01:03:25 GMT 2023

PRIMARY

CAS

352697-38-2

Created by admin on Sat Dec 16 01:03:25 GMT 2023 , Edited by admin on Sat Dec 16 01:03:25 GMT 2023

PRIMARY

PUBCHEM

11556952

Created by admin on Sat Dec 16 01:03:25 GMT 2023 , Edited by admin on Sat Dec 16 01:03:25 GMT 2023

PRIMARY

FDA UNII

JK7XY84JEE

Created by admin on Sat Dec 16 01:03:25 GMT 2023 , Edited by admin on Sat Dec 16 01:03:25 GMT 2023

PRIMARY

Related Record Type Details


					JK7XY84JEE

TL-310

ACTIVE MOIETY

Comments:

Class: Antineoplastic, Taxane; Mechanism of Action: Mitosis inhibitor, Tubulin modulator, Tubulin polymerisation promoter; Highest Development Phase: Phase I for Solid tumours; Most Recent Event: 06 Jul 2007 Phase-I clinical trials in Solid tumours in United Kingdom (PO)


					JK7XY84JEE

TL-310

ACTIVE MOIETY

Comments:

In a Phase I clinical study, patients were administered TL310 at doses from 10 to 160mg/m2 as an oral solution every on days 1, 8 and 15 of a 28 day cycle. All 3 metabolites were detected in plasma. The baccatin ring metabolite BM1 and the side chain metabolite SM2 were present at concentrations one tenth those of the parent, while the concentrations of SM1 were 5-fold lower. Genotype for CYP2C8 and for MDR1 did not explain the variability in plasma concentrations of parent drug or metabolites. An apparent dihydroxy metabolite was subsequently found to be a constituent of the formulation, with no relation to TL310. These investigations have confirmed the identity of TL310 metabolites, the P450 enzymes involved in their formation and demonstrated the relative importance of the metabolites in patients. This information could be used to guide the future clinical use of TL310 and to identify any possible drug interactions.