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Details

Stereochemistry ABSOLUTE
Molecular Formula C78H111N23O24
Molecular Weight 1754.8556
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GLN-LYS-ARG-ALA-ALA-TYR-ASP-GLN-TYR-GLY-HIS-ALA-ALA-PHE-GLU

SMILES

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)NCC(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI

InChIKey=CPLZPRMSVOUCIQ-FHSOKALMSA-N
InChI=1S/C78H111N23O24/c1-39(91-70(117)51(14-10-30-86-78(83)84)95-71(118)50(13-8-9-29-79)94-68(115)49(80)23-26-59(81)104)64(111)89-42(4)67(114)99-56(33-45-17-21-48(103)22-18-45)75(122)101-58(35-63(109)110)76(123)96-52(24-27-60(82)105)72(119)100-54(32-44-15-19-47(102)20-16-44)69(116)87-37-61(106)93-57(34-46-36-85-38-88-46)73(120)92-40(2)65(112)90-41(3)66(113)98-55(31-43-11-6-5-7-12-43)74(121)97-53(77(124)125)25-28-62(107)108/h5-7,11-12,15-22,36,38-42,49-58,102-103H,8-10,13-14,23-35,37,79-80H2,1-4H3,(H2,81,104)(H2,82,105)(H,85,88)(H,87,116)(H,89,111)(H,90,112)(H,91,117)(H,92,120)(H,93,106)(H,94,115)(H,95,118)(H,96,123)(H,97,121)(H,98,113)(H,99,114)(H,100,119)(H,101,122)(H,107,108)(H,109,110)(H,124,125)(H4,83,84,86)/t39-,40-,41-,42-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1

HIDE SMILES / InChI

Molecular Formula C78H111N23O24
Molecular Weight 1754.8556
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 8
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
CJ-023,423, a novel, potent and selective prostaglandin EP4 receptor antagonist with antihyperalgesic properties.
2007 Aug
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:53:10 GMT 2023
Edited
by admin
on Sat Dec 16 11:53:10 GMT 2023
Record UNII
I99M8K8AXT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GLN-LYS-ARG-ALA-ALA-TYR-ASP-GLN-TYR-GLY-HIS-ALA-ALA-PHE-GLU
Systematic Name English
AT-001(DNAJP1)
Code English
DNAJP1
Common Name English
L-GLUTAMIC ACID, L-GLUTAMINYL-L-LYSYL-L-ARGINYL-L-ALANYL-L-ALANYL-L-TYROSYL-L-.ALPHA.-ASPARTYL-L-GLUTAMINYL-L-TYROSYLGLYCYL-L-HISTIDYL-L-ALANYL-L-ALANYL-L-PHENYLALANYL-
Systematic Name English
(2S)-2-(((2S)-2-(((2S)-2-(((2S)-2-(((2S)-2-((2-(((2S)-2-(((2S)-5-AMINO-2-(((2S)-2-(((2S)-2-(((2S)-2-(((2S)-2-(((2S)-2-(((2S)-6-AMINO-2-(((2S)-2,5-DIAMINO-5-OXO-PENTANOYL)AMINO)HEXANOYL)AMINO)-5-GUANIDINO-PENTANOYL)AMINO)PROPANOYL)AMINO)PROPANOYL)AMINO)-3
Systematic Name English
Code System Code Type Description
FDA UNII
I99M8K8AXT
Created by admin on Sat Dec 16 11:53:10 GMT 2023 , Edited by admin on Sat Dec 16 11:53:10 GMT 2023
PRIMARY
PUBCHEM
16141649
Created by admin on Sat Dec 16 11:53:10 GMT 2023 , Edited by admin on Sat Dec 16 11:53:10 GMT 2023
PRIMARY
NCI_THESAURUS
C104663
Created by admin on Sat Dec 16 11:53:10 GMT 2023 , Edited by admin on Sat Dec 16 11:53:10 GMT 2023
CONCEPT
CLINICAL_TRIALS.GOV
AT-001
Created by admin on Sat Dec 16 11:53:10 GMT 2023 , Edited by admin on Sat Dec 16 11:53:10 GMT 2023
PRIMARY The purpose of this study is to determine the safety, bioavailability, and effectiveness of an organic yeast-selenium compound in reducing brain oxidative stress. Oxidative stress in the brain has been linked to a variety oif disorders including Alzheimer's disease. Selenium is a very powerful antioxidant that could prove useful in reducing the harmful effects of oxidative stress in the brain and may help prevent diseases such as Alzheimer's. Our recent work has demonstrated that the specific type of selenium compound greatly influences it's ability to enhance brain health and prevent Alzheimer changes in mouse models of this disease.
CAS
163362-49-0
Created by admin on Sat Dec 16 11:53:10 GMT 2023 , Edited by admin on Sat Dec 16 11:53:10 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY
Aratana is pleased to announce positive results from its pivotal field study of AT-001 (Grapiprant), the companys innovative drug for treating pain in dogs with osteoarthritis. In the study, dogs receiving AT-001 demonstrated improvements in pain assessment scores that were statistically significant compared to placebo (p<0.05) at a once-daily oral dose. Aratana expects to commence commercialization upon FDA approval, which Aratana anticipates in 2016. The blinded, placebo-controlled, multi-center dose-ranging study of AT-001 enrolled 280 client-owned dogs with osteoarthritis. Dogs were randomized equally into one group treated with AT-001 and one group treated with placebo. Dogs were dosed for 28 days, and effectiveness was determined by a standard protocol utilizing a validated owner-assessed pain score.
ACTIVE MOIETY
AT132-(formerly AT001)