U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C189H312N58O53S4
Molecular Weight 4373.116
Optical Activity UNSPECIFIED
Defined Stereocenters 38 / 38
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANX-042

SMILES

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CC(C)C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CC7=CNC=N7)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]8CSSC[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]9CCCN9C(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CC%10=CC=CC=C%10)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N8)C(=O)N%11CCC[C@H]%11C(=O)N[C@@H](C(C)C)C(O)=O

InChI

InChIKey=IRRLKLXYIZBPPF-YTGPIHSWSA-N
InChI=1S/C189H312N58O53S4/c1-15-103(11)149-177(290)234-127(94-253)167(280)233-126(93-252)166(279)232-125(92-251)165(278)231-124(91-250)156(269)211-85-142(258)215-118(77-99(3)4)153(266)208-87-144(260)217-129(168(281)219-108(41-20-24-60-190)151(264)206-83-140(256)213-109(42-21-25-61-191)158(271)229-122(80-106-82-202-98-212-106)181(294)241-68-32-49-132(241)172(285)230-121(78-100(5)6)180(293)247-74-38-55-138(247)184(297)243-70-34-50-133(243)171(284)226-117(47-30-66-205-189(200)201)179(292)246-73-37-54-137(246)183(296)244-71-35-51-134(244)173(286)235-128(95-254)182(295)242-69-33-52-135(242)175(288)239-150(104(12)16-2)185(298)245-72-36-53-136(245)174(287)237-148(102(9)10)186(299)300)96-303-304-97-130(218-145(261)88-210-155(268)123(90-249)216-143(259)86-207-152(265)114(56-57-139(195)255)225-176(289)147(101(7)8)236-163(276)116(59-76-302-14)223-160(273)112(44-23-27-63-193)224-170(283)131-48-31-67-240(131)178(291)107(194)89-248)169(282)227-119(79-105-39-18-17-19-40-105)154(267)209-84-141(257)214-110(45-28-64-203-187(196)197)157(270)220-111(43-22-26-62-192)159(272)222-115(58-75-301-13)161(274)228-120(81-146(262)263)164(277)221-113(162(275)238-149)46-29-65-204-188(198)199/h17-19,39-40,82,98-104,107-138,147-150,248-254H,15-16,20-38,41-81,83-97,190-194H2,1-14H3,(H2,195,255)(H,202,212)(H,206,264)(H,207,265)(H,208,266)(H,209,267)(H,210,268)(H,211,269)(H,213,256)(H,214,257)(H,215,258)(H,216,259)(H,217,260)(H,218,261)(H,219,281)(H,220,270)(H,221,277)(H,222,272)(H,223,273)(H,224,283)(H,225,289)(H,226,284)(H,227,282)(H,228,274)(H,229,271)(H,230,285)(H,231,278)(H,232,279)(H,233,280)(H,234,290)(H,235,286)(H,236,276)(H,237,287)(H,238,275)(H,239,288)(H,262,263)(H,299,300)(H4,196,197,203)(H4,198,199,204)(H4,200,201,205)/t103-,104-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,147-,148-,149-,150-/m0/s1

HIDE SMILES / InChI

Molecular Formula C189H312N58O53S4
Molecular Weight 4373.116
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 38 / 38
E/Z Centers 17
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:42:15 GMT 2023
Edited
by admin
on Sat Dec 16 15:42:15 GMT 2023
Record UNII
ZV0MCR055T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANX-042
Common Name English
ASBNP.1
Common Name English
L-VALINE, L-SERYL-L-PROLYL-L-LYSYL-L-METHIONYL-L-VALYL-L-GLUTAMINYLGLYCYL-L-SERYLGLYCYL-L-CYSTEINYL-L-PHENYLALANYLGLYCYL-L-ARGINYL-L-LYSYL-L-METHIONYL-L-.ALPHA.-ASPARTYL-L-ARGINYL-L-ISOLEUCYL-L-SERYL-L-SERYL-L-SERYL-L-SERYLGLYCYL-L-LEUCYLGLYCYL-L-CYSTEIN
Systematic Name English
BNP.1
Common Name English
ANX 042
Code English
Code System Code Type Description
PUBCHEM
145722011
Created by admin on Sat Dec 16 15:42:15 GMT 2023 , Edited by admin on Sat Dec 16 15:42:15 GMT 2023
PRIMARY
CAS
1434212-55-1
Created by admin on Sat Dec 16 15:42:15 GMT 2023 , Edited by admin on Sat Dec 16 15:42:15 GMT 2023
PRIMARY
FDA UNII
ZV0MCR055T
Created by admin on Sat Dec 16 15:42:15 GMT 2023 , Edited by admin on Sat Dec 16 15:42:15 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY
Results: Under Na replete conditions, ANX-042 was tolerated up to 0.03 .MU.g/kg/min, with 3 of 4 subjects requiring discontinuation of ANX-042 infusion of 0.065 .MU.g/kg/min due to persistent symptomatic orthostatic hypotension. The effects on cGMP activation at end of infusion are shown Table 1. There were no consistent changes in urinary parameters or neurohormones in these healthy volunteers.
ACTIVE MOIETY
Drug: ANX 042(Primary); Indications: Acute heart failure, Chronic heart failure, Decompensated heart failure; Focus: Adverse reaction; Sponsor: Anexon; Most Recent Events: 18 Nov 2013 Results presented at the 86th Annual Scientific Sessions of the American Heart Association., 01 Dec 2012 Status changed from recruiting to completed as reported by ClinicalTrials.gov., 05 Nov 2012 Planned number of patients changed from 18 to 30 as reported by ClinicalTrials.gov.
ACTIVE MOIETY
Originator: Mayo Clinic; Developer: Anexon; Class: Heart failure therapy, Natriuretic peptide Mechanism of Action: Undefined mechanism; Orphan Drug Status: No; On Fast track: No; New Molecular Entity: Yes; Highest Development Phases: No development reported for Heart failure, Kidney disorders; Most Recent Events: 19 Apr 2016 No recent reports on development identified - Phase-I for Kidney disorders (In volunteers) in USA (IV), 19 Apr 2016 No recent reports on development identified - Phase-I for Heart failure (In volunteers) in USA (IV), 07 Aug 2012 Phase-I clinical trials in Heart failure in USA (IV)