Ac-RYYRWK-NH2 TFA

CAT: 0931-T40510-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T40510-01Size:100 mg

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CAS Number

408305-09-9

Target

Opioid Receptor

Related Pathways

Endocrinology/Hormones, Neuroscience, GPCR/G Protein

Bioactivity

Ac-RYYRWK-NH2 is a highly effective and specific partial agonist for the nociceptin receptor (NOP) . It demonstrates a remarkable affinity for rat cortical membranes ORL1, with [3H]Ac-RYYRWK-NH2 exhibiting a Kd value of 0.071 nM. However, it shows negligible affinity towards μ-, κ-, or δ-opioid receptors.

Smiles

OC(=O)C(F)(F)F.CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O

Molecular Formula

C51H70F3N15O11

Molecular Weight

1126.21

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Ac-RYYRWK-NH2 TFA

CAS Number	408305-09-9
PubChem CID	168013237
IUPAC Name	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-aminohexanamide;2,2,2-trifluoroacetic acid
Molecular Formula	C51H70F3N15O11
Molecular Weight	1126.2
Topological Polar Surface Area	466
Hydrogen Bond Donor Count	16
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	30
Heavy Atom Count	80
Formal Charge	0
Complexity	1930

SMILES

CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CCCCN)C(=O)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C49H69N15O9.C2HF3O2/c1-28(65)59-37(11-6-22-56-48(52)53)43(69)62-40(25-30-15-19-33(67)20-16-30)46(72)63-39(24-29-13-17-32(66)18-14-29)45(71)61-38(12-7-23-57-49(54)55)44(70)64-41(26-31-27-58-35-9-3-2-8-34(31)35)47(73)60-36(42(51)68)10-4-5-21-50;3-2(4,5)1(6)7/h2-3,8-9,13-20,27,36-41,58,66-67H,4-7,10-12,21-26,50H2,1H3,(H2,51,68)(H,59,65)(H,60,73)(H,61,71)(H,62,69)(H,63,72)(H,64,70)(H4,52,53,56)(H4,54,55,57);(H,6,7)/t36-,37-,38-,39-,40-,41-;/m0./s1

InChIKey

IIVXGPHKYHMNLB-UCTQLVHTSA-N

Chemical Structure

2D Structure

CAS: 408305-09-9

CID: 168013237

Formula: C51H70F3N15O11

MW: 1126.2

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	1126.2
Hydrogen Bond Donor Count	16
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	30
Exact Mass	1125.53313259
Monoisotopic Mass	1125.53313259
Topological Polar Surface Area	466 Å²
Heavy Atom Count	80
Formal Charge	0
Complexity	1930
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
TP1941	Ac-RYYRWK-NH2
TP1941L1-01	Ac-RYYRWK-NH2 acetate
T75907-01	Ac-RYYRIK-NH2 TFA
TP1940	Ac-RYYRIK-NH2
TP1940L1-01	Ac-RYYRIK-NH2 acetate
T75902-01	SLIGRL-NH2 TFA
T75871-01	FSLLRY-NH2 TFA
T15972-01	Mal-NH2 TFA
TP3327-01	RLLFT-NH2 TFA
TP3227-01	Wrwycr-NH2 TFA

Alternative Products

Catalog	Name
AIA95947-01	Ac-RYYRWK-NH2
GTR18919090-01	Ac-RYYRWK-NH2 acetate
HY-P1316A	Ac-RYYRWK-NH2 (TFA)
MBS5800742	Ac-RYYRWK-NH2 TFA
E-1270.0001	Ac-Val-NH2
E-1245.0001	Ac-Tyr-NH2
E-1140.0001	Ac-Met-NH2
E-1085.0001	Ac-Ile-NH2
PA00038-01	Ac-RGDSPGGC-NH2
FA107841-01	Ac-Gln-NH2

Ac-RYYRWK-NH2 TFA

Chemical Information

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