Clocinnamox , CAS No.C668976

CAS: C668976 Cat. No.: C668976 Formule: C29H29ClN2O4 Poids moléculaire: 505 PubChem CID: 6540640
DISPONIBLE À COMMANDE
Synonyms
clocinnamox|C-CAM|14beta-4''-Chlorocinnamoylaminodihydronormorphinone|1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-17-yl]-3-(4-chlorophenyl)-(E)-2-propenamide(Clocinnamox (C-CAM))|14Beta-4'-Chlorocinnamoylaminodihydronormorphinone|(2E)-3-(4-chlorophenyl)-N-[(1R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-14-oxo-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-17-yl]prop-2-enamide
Storage
Room temperature
★
Taille
USA
Allemagne (EU)*
Prix
Qté
1mg
C668976-1mg
Sur commande · 8–12 semaines

571,90$US

857,90$US
Enregistrer 286,00 $US (33.34%)
5mg
C668976-5mg
Sur commande · 8–12 semaines

1 999,90$US

2 999,90$US
Enregistrer 1 000,00 $US (33.33%)
Enter a quantity for the sizes you want to add.

Spécifications

Synonymes
clocinnamox | C-CAM | 14beta-4''-Chlorocinnamoylaminodihydronormorphinone | 1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-17-yl]-3-(4-chlorophenyl)-(E)-2-propenamide(Clocinnamox (C-CAM)) | 14Beta-4'-Chlorocinnamoylaminodihydronormorphinone | (2E)-3-(4-chlorophenyl) Afficher plus
Conditions de stockage de stockage
Room temperature
Propriétés du produit
ALogP
4.6
Noms et identifiants
Sourires canoniques
C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)NC(=O)C=CC7=CC=C(C=C7)Cl
IUPAC Name
(E)-N-[(4R,4aS,7aR,12bR)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-3-(4-chlorophenyl)prop-2-enamide
InChIKey
RAURUSFBVQLAPW-DNIKMYEQSA-N
INCHI
1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35)/b10-5+/t23-,27+,28+,29-/m1/s1
Isomères SMILES
C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)NC(=O)/C=C/C7=CC=C(C=C7)Cl
PubChem CID
6540640
Poids moléculaire
505

Données avancées

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassePhenanthrenes and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPhenanthrenes and derivatives
Alternative Parents Cinnamic acid amides  Isoquinolones and derivatives  Tetralins  Coumarans  Styrenes  1-hydroxy-2-unsubstituted benzenoids  Alkyl aryl ethers  Aralkylamines  Chlorobenzenes  Piperidines  Aryl chlorides  Secondary carboxylic acid amides  Trialkylamines  Amino acids and derivatives  Ketones  Oxacyclic compounds  Azacyclic compounds  Organic oxides  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenanthrene - Cinnamic acid or derivatives - Cinnamic acid amide - Isoquinolone - Tetralin - Coumaran - Styrene - Alkyl aryl ether - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Chlorobenzene - Aralkylamine - Monocyclic benzene moiety - Piperidine - Aryl halide - Aryl chloride - Secondary carboxylic acid amide - Tertiary amine - Ketone - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
OPRD1 Tclin Delta-type opioid receptor (6 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
OPRK1 Tclin Kappa-type opioid receptor (6 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
OPRM1 Tclin Mu-type opioid receptor (6 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
OPRM1 Tclin Mu opioid receptor (19785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRD1 Tclin Delta opioid receptor (15096 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRK1 Tclin Kappa opioid receptor (16155 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRD1 Tclin Opioid receptors; mu & delta (1530 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cibles associées (non humaines)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Poids moléculaire505.000 g/mol
XLogP34.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass504.182 Da
Monoisotopic Mass504.182 Da
Topological Polar Surface Area78.900 Ų
Heavy Atom Count36
Formal Charge0
Complexity946.000
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Calculateurs de solution
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