TRV055

CAT: 0931-T40220-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T40220-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

25849-90-5

Target

RAAS, ERK

Related Pathways

Endocrinology/Hormones, MAPK

Bioactivity

TRV055 is a Gq-biased ligand of the angiotensin II receptor type 1 (AT1R) . TRV055 is efficacious in stimulating cellular Gq-mediated signaling. TRV055 can be used to develop the Gq-biased AT1R agonists.

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O

Molecular Formula

C42H57N9O9

Molecular Weight

831.972

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Angiotensin II, 1-de-L-aspartic acid-2-glycine-5-L-isoleucine-

CAS Number	25849-90-5
PubChem CID	50902297
IUPAC Name	(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Molecular Formula	C42H57N9O9
Molecular Weight	832.0
XLogP	0.3
Topological Polar Surface Area	278
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	21
Heavy Atom Count	60
Formal Charge	0
Complexity	1470

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](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)CN

InChI

InChI=1S/C42H57N9O9/c1-5-25(4)36(50-37(54)30(18-27-13-15-29(52)16-14-27)46-39(56)35(24(2)3)49-34(53)21-43)40(57)47-31(20-28-22-44-23-45-28)41(58)51-17-9-12-33(51)38(55)48-32(42(59)60)19-26-10-7-6-8-11-26/h6-8,10-11,13-16,22-25,30-33,35-36,52H,5,9,12,17-21,43H2,1-4H3,(H,44,45)(H,46,56)(H,47,57)(H,48,55)(H,49,53)(H,50,54)(H,59,60)/t25-,30-,31-,32-,33-,35-,36-/m0/s1

InChIKey

YAJPGWCDYDATRI-DIUSPMSXSA-N

Chemical Structure

2D Structure

CAS: 25849-90-5

CID: 50902297

Formula: C42H57N9O9

MW: 832.0

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	832.0
XLogP3	0.3
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	21
Exact Mass	831.42792443
Monoisotopic Mass	831.42792443
Topological Polar Surface Area	278 Å²
Heavy Atom Count	60
Formal Charge	0
Complexity	1470
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T40920-01	TRV056
T203071-01	TRV045

Alternative Products

Catalog	Name
MBS5800502	TRV055
MBS5785661	TRV055 acetate
HY-P3136A-01	TRV055 (hydrochloride)
A22925-5	TRV055 5mg
GTR19036361-01	TRV055 hydrochloride
A22925-10	TRV055 10mg
A22925-1	TRV055 1mg

TRV055

Chemical Information

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