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CYT-1010 hydrochloride

CAT: 0931-T10926L-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T10926L-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1161517-81-2
Target
Others
Related Pathways
Others
Bioactivity
CYT-1010 hydrochloride is an mu-opioid receptor agonist. The EC50 for β-arrestin recruitment and cAMP production inhibition were 13.1 nM and 0.0053 nM, respectively.
Smiles
C(C=1C=2C(NC1)=CC=CC2)[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)NCCCC[C@@H](NC([C@H](CC5=CC=C(O)C=C5)N)=O)C(=O)N3.Cl
Molecular Formula
C35H41ClN6O5
Molecular Weight
661.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CYT-1010 hydrochloride
CAS Number1161517-81-2
PubChem CID126843214
IUPAC Name(2S)-2-amino-N-[(3S,6S,9R)-3-benzyl-6-(1H-indol-3-ylmethyl)-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]-3-(4-hydroxyphenyl)propanamide;hydrochloride
Molecular FormulaC35H41ClN6O5
Molecular Weight661.2
Topological Polar Surface Area178
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count47
Formal Charge0
Complexity1030
SMILES
C1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](C1)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5.Cl
InChI
InChI=1S/C35H40N6O5.ClH/c36-27(18-23-13-15-25(42)16-14-23)32(43)39-29-12-6-7-17-37-33(44)30(19-22-8-2-1-3-9-22)40-35(46)31(41-34(29)45)20-24-21-38-28-11-5-4-10-26(24)28;/h1-5,8-11,13-16,21,27,29-31,38,42H,6-7,12,17-20,36H2,(H,37,44)(H,39,43)(H,40,46)(H,41,45);1H/t27-,29+,30-,31-;/m0./s1
InChIKey
NMSZLDDOFYNBTI-JEFWNIONSA-N
Chemical Structure
2D Structure
2D structure of CYT-1010 hydrochloride
CAS: 1161517-81-2
CID: 126843214
Formula: C35H41ClN6O5
MW: 661.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight661.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass660.2826961
Monoisotopic Mass660.2826961
Topological Polar Surface Area178 Ų
Heavy Atom Count47
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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MBS3845778-01CYT-1010 hydrochloride
HY-123534ACYT-1010 (hydrochloride)
A21348-5CYT-1010 hydrochloride 5mg
A21348-25CYT-1010 hydrochloride 25mg
A21348-50CYT-1010 hydrochloride 50mg
A21348-10CYT-1010 hydrochloride 10mg
A21348-1CYT-1010 hydrochloride 1mg
A21348-100CYT-1010 hydrochloride 100mg
MBS5752968CYT-1010
A19176-25CYT-1010 25mg

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