Adrenorphin

CAT: 0931-T7567-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T7567-01Size:100 mg

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

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CAS Number

88377-68-8

Target

Opioid Receptor

Related Pathways

GPCR/G Protein, Endocrinology/Hormones, Neuroscience

Bioactivity

Adrenorphin (Metorphamide) (3TFA) is an agonist of μ-opioid receptor (Ki :12 nM) .

Smiles

CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(N)=O

Molecular Formula

C44H69N15O9S

Molecular Weight

984.18

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Adrenorphin

opioid octapeptide from human & bovine adrenal medulla & human phaeochromocytoma tumor; H-Tyr-Gly-Gly-Phe-Met-Arg-Arg-Val-NH2

CAS Number	88377-68-8
PubChem CID	122176
IUPAC Name	(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-N-[(2R)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular Formula	C44H69N15O9S
Molecular Weight	984.2
XLogP	-1.9
Topological Polar Surface Area	447
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	31
Heavy Atom Count	69
Formal Charge	0
Complexity	1730

SMILES

CC(C)[C@@H](C(=O)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C44H69N15O9S/c1-25(2)36(37(46)63)59-41(67)31(12-8-19-52-44(49)50)57-39(65)30(11-7-18-51-43(47)48)56-40(66)32(17-20-69-3)58-42(68)33(22-26-9-5-4-6-10-26)55-35(62)24-53-34(61)23-54-38(64)29(45)21-27-13-15-28(60)16-14-27/h4-6,9-10,13-16,25,29-33,36,60H,7-8,11-12,17-24,45H2,1-3H3,(H2,46,63)(H,53,61)(H,54,64)(H,55,62)(H,56,66)(H,57,65)(H,58,68)(H,59,67)(H4,47,48,51)(H4,49,50,52)/t29-,30-,31+,32-,33-,36-/m0/s1

InChIKey

XJOQRTJDYAHKPY-YVWIMRNGSA-N

Chemical Structure

2D Structure

CAS: 88377-68-8

CID: 122176

Formula: C44H69N15O9S

MW: 984.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	984.2
XLogP3	-1.9
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	31
Exact Mass	983.51234001
Monoisotopic Mass	983.51234001
Topological Polar Surface Area	447 Å²
Heavy Atom Count	69
Formal Charge	0
Complexity	1730
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	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
A1032-5	Adrenorphin
10381-05011	Adrenorphin Antibody
MBS5758455	Adrenorphin (3TFA)
MBS826476-01	Adrenorphin, Human
024-54	Metorphinamide / Adrenorphin
GTR18894334	Adrenorphin peptide
GTR19066864-01	Adrenorphin, Free Acid
MBS8246029-01	Adrenorphin (Free acid)
GTR18896241-01	Adrenorphin Human peptide

Adrenorphin

Chemical Information

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