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TRV-120027

CAT: 0931-TP2158L-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TP2158L-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1234510-46-3
Target
RAAS, Arrestin, Others
Related Pathways
Others, GPCR/G Protein, Endocrinology/Hormones
Bioactivity
TRV120027 is a β-arrestin-1-biased agonist of the angiotensin II receptor type 1. TRV120027 inhibits angiotensin II-mediated vasoconstriction and increases cardiomyocyte contractility.
Smiles
[H][C@](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC)C(C)C)([C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(O)=O
Molecular Formula
C43H67N13O10
Molecular Weight
926.09
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Trv-120027

TRV120027 has been used in trials studying the treatment of Heart Failure and Kidney Disease.

CAS Number1234510-46-3
PubChem CID3082475
IUPAC Name(2R)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
Molecular FormulaC43H67N13O10
Molecular Weight926.1
XLogP-2.3
Topological Polar Surface Area358
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count13
Rotatable Bond Count26
Heavy Atom Count66
Formal Charge0
Complexity1690
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC
InChI
InChI=1S/C43H67N13O10/c1-7-24(4)35(40(63)53-31(19-27-20-47-22-49-27)41(64)56-17-9-11-32(56)38(61)50-25(5)42(65)66)55-37(60)30(18-26-12-14-28(57)15-13-26)52-39(62)34(23(2)3)54-36(59)29(51-33(58)21-46-6)10-8-16-48-43(44)45/h12-15,20,22-25,29-32,34-35,46,57H,7-11,16-19,21H2,1-6H3,(H,47,49)(H,50,61)(H,51,58)(H,52,62)(H,53,63)(H,54,59)(H,55,60)(H,65,66)(H4,44,45,48)/t24-,25+,29-,30-,31-,32-,34-,35-/m0/s1
InChIKey
XIEWFECSPPTVQN-KMIMAYJXSA-N
Chemical Structure
2D Structure
2D structure of Trv-120027
CAS: 1234510-46-3
CID: 3082475
Formula: C43H67N13O10
MW: 926.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight926.1
XLogP3-2.3
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count13
Rotatable Bond Count26
Exact Mass925.51338539
Monoisotopic Mass925.51338539
Topological Polar Surface Area358 Ų
Heavy Atom Count66
Formal Charge0
Complexity1690
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BA5184-5TRV-120027
MBS5764135TRV-120027 TFA
HY-P2141A-01TRV-120027 (TFA)
BUP04107-01TRV-120027 acetate (1234510-46-3 free base)
MBS5820701TRV-1387
GTR19220575TRV-7019
468336-01TRV-130
468337TRV-130 HCl
FT137730-01TRV-130·HCl
TRC-T895530-25MGTRV-130 Hydrochloric Acid Salt

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