EC-1456

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C111H167N23O45S3
Molecular Weight	2639.836
Optical Activity	UNSPECIFIED
Defined Stereocenters	26 / 26
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(COC(=O)CC(C)C)[C@H](C[C@@H](OC(C)=O)C2=NC(=CS2)C(=O)N[C@H](C[C@H](C)C(=O)NNC(=O)OCCSSC[C@@H](NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)CC[C@@H](NC(=O)C3=CC=C(NCC4=NC5=C(NC(N)=NC5=O)N=C4)C=C3)C(O)=O)C(O)=O)CC6=CC=C(O)C=C6)C(C)C

InChI

InChIKey=QCQJJEGKYZWNPO-TUUBGWNBSA-N

InChI=1S/C111H167N23O45S3/c1-10-54(6)87(128-104(169)71-13-11-12-34-133(71)9)107(171)134(51-178-86(154)37-52(2)3)72(53(4)5)40-79(179-56(8)138)106-127-69(49-180-106)103(168)119-60(39-57-14-20-62(139)21-15-57)38-55(7)96(161)131-132-111(176)177-35-36-181-182-50-70(109(174)175)126-102(167)65(24-30-82(148)116-45-75(142)91(157)94(160)78(145)48-137)122-101(166)67(27-33-85(152)153)124-99(164)64(23-29-81(147)115-44-74(141)90(156)93(159)77(144)47-136)121-100(165)66(26-32-84(150)151)123-98(163)63(22-28-80(146)114-43-73(140)89(155)92(158)76(143)46-135)120-83(149)31-25-68(108(172)173)125-97(162)58-16-18-59(19-17-58)113-41-61-42-117-95-88(118-61)105(170)130-110(112)129-95/h14-21,42,49,52-55,60,63-68,70-79,87,89-94,113,135-137,139-145,155-160H,10-13,22-41,43-48,50-51H2,1-9H3,(H,114,146)(H,115,147)(H,116,148)(H,119,168)(H,120,149)(H,121,165)(H,122,166)(H,123,163)(H,124,164)(H,125,162)(H,126,167)(H,128,169)(H,131,161)(H,132,176)(H,150,151)(H,152,153)(H,172,173)(H,174,175)(H3,112,117,129,130,170)/t54-,55-,60+,63-,64-,65-,66+,67+,68+,70+,71+,72+,73-,74-,75-,76+,77+,78+,79+,87-,89+,90+,91+,92+,93+,94+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C111H167N23O45S3
Molecular Weight	2639.836
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	26 / 26
E/Z Centers	9
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:58:45 GMT 2023` Edited by `admin` on `Sat Dec 16 07:58:45 GMT 2023`
Record UNII	Y5M347N42W
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

EC-1456

Code

English

EC 1456 [WHO-DD]

Common Name

English

EC 1456

Code

English

Code System Code Type Description

FDA UNII

Y5M347N42W

Created by admin on Sat Dec 16 07:58:45 GMT 2023 , Edited by admin on Sat Dec 16 07:58:45 GMT 2023

PRIMARY

CAS

1602487-16-0

Created by admin on Sat Dec 16 07:58:45 GMT 2023 , Edited by admin on Sat Dec 16 07:58:45 GMT 2023

PRIMARY

PUBCHEM

131635014

Created by admin on Sat Dec 16 07:58:45 GMT 2023 , Edited by admin on Sat Dec 16 07:58:45 GMT 2023

PRIMARY

SMS_ID

300000033141

Created by admin on Sat Dec 16 07:58:45 GMT 2023 , Edited by admin on Sat Dec 16 07:58:45 GMT 2023

PRIMARY

Related Record Type Details


					Y5M347N42W

EC-1456

ACTIVE MOIETY

Comments:

The EC1456 poster shows that EC1456 is generally well tolerated in previously treated cancer patients, with no treatment-related deaths, SAE's, dose modifications, or Grade 4 toxicities on either schedule. There is also no evidence of cumulative or late emerging toxicity, thus far. Grade 1-2 toxicities include nausea, vomiting, stomatitis, abdominal pain, constipation, diarrhea, paresthesia, and fatigue. Cohort expansions are continuing at 4.5 mg/m2 (weekly schedule) and 2.5 mg/m2 (biweekly schedule). Anti-tumor activity with EC1456 is suggested by prolonged stable disease in FR+ patients: 11/20 patients had stable disease as their best study response. EC1456 shows a dose-dependent PK profile that has prolonged drug concentration above IC50 and is more favorable than the 1st generation SMDC, vintafolide.