EC-0305

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C81H113N21O25S3
Molecular Weight	1877.085
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCC(=O)OCN([C@H](C[C@@H](OC(C)=O)C1=NC(=CS1)C(=O)N[C@H](C[C@H](C)C(=O)NNC(=O)OCCSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CC[C@H](NC(=O)C2=CC=C(NCC3=NC4=C(N=C3)N=C(N)NC4=O)C=C2)C(O)=O)C(O)=O)CC5=CC=C(O)C=C5)C(C)C)C(=O)[C@@H](NC(=O)[C@H]6CCCCN6C)[C@@H](C)CC

InChI

InChIKey=CDSJGIIWNPXYAR-QURSGCAYSA-N

InChI=1S/C81H113N21O25S3/c1-9-14-63(110)126-40-102(76(119)64(42(5)10-2)96-73(117)57-16-11-12-28-101(57)8)58(41(3)4)35-59(127-44(7)103)75-95-55(38-128-75)72(116)89-48(32-45-17-23-50(104)24-18-45)31-43(6)67(111)99-100-81(124)125-29-30-129-130-39-56(78(122)123)94-71(115)54(34-62(108)109)93-69(113)51(15-13-27-85-79(82)83)91-70(114)53(33-61(106)107)90-60(105)26-25-52(77(120)121)92-68(112)46-19-21-47(22-20-46)86-36-49-37-87-66-65(88-49)74(118)98-80(84)97-66/h17-24,37-38,41-43,48,51-54,56-59,64,86,104H,9-16,25-36,39-40H2,1-8H3,(H,89,116)(H,90,105)(H,91,114)(H,92,112)(H,93,113)(H,94,115)(H,96,117)(H,99,111)(H,100,124)(H,106,107)(H,108,109)(H,120,121)(H,122,123)(H4,82,83,85)(H3,84,87,97,98,118)/t42-,43-,48+,51-,52-,53-,54-,56-,57+,58+,59+,64-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C81H113N21O25S3
Molecular Weight	1877.085
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	4
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:41:00 GMT 2023` Edited by `admin` on `Sat Dec 16 11:41:00 GMT 2023`
Record UNII	XBG8SF1OJB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EC-0305

Common Name

English

EC 0305

Code

English

F-0305

Code

English

L-ALANINE, N-(4-(((2-AMINO-3,4-DIHYDRO-4-OXO-6-PTERIDINYL)METHYL)AMINO)BENZOYL)-L-.GAMMA.-GLUTAMYL-L-.ALPHA.-ASPARTYL-L-ARGINYL-L-.ALPHA.-ASPARTYL-3-((2-(((2-((2S,4R)-4-(((2-((1R,3R)-1-(ACETYLOXY)-4-METHYL-3-(((2S,3S)-3-METHYL-2-((((2R)-1-METHYL-2-PIPERI

Systematic Name

English

Code System Code Type Description

MANUFACTURER PRODUCT INFORMATION

EC-0305

Created by admin on Sat Dec 16 11:41:00 GMT 2023 , Edited by admin on Sat Dec 16 11:41:00 GMT 2023

PRIMARY

F0305 - Anti-FANCD2 antibody produced in rabbit

PUBCHEM

24773035

Created by admin on Sat Dec 16 11:41:00 GMT 2023 , Edited by admin on Sat Dec 16 11:41:00 GMT 2023

PRIMARY

CAS

1059477-97-2

Created by admin on Sat Dec 16 11:41:00 GMT 2023 , Edited by admin on Sat Dec 16 11:41:00 GMT 2023

PRIMARY

FDA UNII

XBG8SF1OJB

Created by admin on Sat Dec 16 11:41:00 GMT 2023 , Edited by admin on Sat Dec 16 11:41:00 GMT 2023

PRIMARY

Related Record Type Details


					XBG8SF1OJB

EC-0305

ACTIVE MOIETY

Comments:

When tested against more chemoresistant folate receptor expressing M109 and 4T1-cl2 tumors, EC0305 displayed superior antitumor activity over a previously disclosed folate conjugate of desacetylvinblastine monohydrazide (EC145). These studies demonstrate that EC0305 has significant antiproliferative activity against FR expressing tumors, including those which are generally more chemoresistant, and that EC0305 should be considered for development as a candidate for the treatment of advanced FR-expressing human cancers.