DELMITIDE ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C59H105N17O11.C2H4O2
Molecular Weight	1288.6243
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)=O.CCCC[C@@H](NC(=O)[C@@H](CCCC)NC(=O)[C@@H](CCCC)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCC)NC(=O)[C@@H](CCCC)NC(=O)[C@@H](CCCC)NC(=O)[C@H](N)CCCNC(N)=N)C(=O)NCC(=O)N[C@H](CC1=CC=C(O)C=C1)C(N)=O

InChI

InChIKey=LTDMAMSELCSERL-XCQJOGLYSA-N

InChI=1S/C59H105N17O11.C2H4O2/c1-7-13-22-40(51(81)68-36-48(78)69-47(49(61)79)35-37-29-31-38(77)32-30-37)71-53(83)42(24-15-9-3)73-55(85)44(26-17-11-5)75-57(87)46(28-20-34-67-59(64)65)76-56(86)45(27-18-12-6)74-54(84)43(25-16-10-4)72-52(82)41(23-14-8-2)70-50(80)39(60)21-19-33-66-58(62)63;1-2(3)4/h29-32,39-47,77H,7-28,33-36,60H2,1-6H3,(H2,61,79)(H,68,81)(H,69,78)(H,70,80)(H,71,83)(H,72,82)(H,73,85)(H,74,84)(H,75,87)(H,76,86)(H4,62,63,66)(H4,64,65,67);1H3,(H,3,4)/t39-,40-,41-,42-,43-,44-,45-,46-,47-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C59H105N17O11
Molecular Weight	1228.5723
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	2
Optical Activity	UNSPECIFIED

Description
Sources: https://www.pharmacodia.com/yaodu/html/v1/chemicals/c94705308eab00fa34180376bac7834f.html | https://www.ncbi.nlm.nih.gov/pubmed/10748117 | https://www.ncbi.nlm.nih.gov/pubmed/14666431 | http://deals.bio/home/download?doc_id=1306

Delmitide is the decapeptide with antiinflammatory activity. It is the first low molecular weight compound inhibiting TNF production at a translational level. Also, delmitide inhibits production of IFN-gamma, IL-12 and IL-2. It targets TRAF6/IRAK4/MyD88 complex and inhibits phosphorylation of SAPKs (p38 and JNK). Delmitide inhibits AP1 and NFkB activation. Delmitide was developed for the potential treatment of Crohn's disease and ulcerative colitis; phase II trials for both these indications commenced in October 2001. Phase I trial in chemotherapy-induced diarrhea and the gastrointestinal complications of HIV were also initiated. However, no recent development has been reported.

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:56:20 GMT 2023` Edited by `admin` on `Fri Dec 15 15:56:20 GMT 2023`
Record UNII	5Y1CNW44Y5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DELMITIDE ACETATE

Official Name

English

RSP-58

Code

English

RSP58

Code

English

DELMITIDE ACETATE [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C574