Compound Summary
IB-MECA
Compound Information
IB-MECA
Compound Name: | IB-MECA |
Compound CID: | 123683 |
Synonyms: | IB-MECA piclidenoson 152918-18-8 CF-101 3-IB-Meca More... |
Iupac Name: | (2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-N-methyloxolane-2-carboxamide |
InChI: | InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1 |
InChIKey: | HUJXGQILHAUCCV-MOROJQBDSA-N |
Canonical Smiles: | CNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)NCC4=CC(=CC=C4)I)O)O |
Isomeric Smiles: | CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NCC4=CC(=CC=C4)I)O)O |
Molecular Weight: | 510.3 |
Molecular Formula: | C18H19IN6O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
IB-MECA
Molecular Weight: | 510.3 |
Molecular Formula: | C18H19IN6O4 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 8 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 29 |
Complexity: | 589 |
Synonyms
IB-MECA
| IB-MECA | IB-MECA |
|---|---|
IB-MECA |
piclidenoson |
152918-18-8 |
CF-101 |
3-IB-Meca |
N(6)-Ibamu |
CF 101 |
N(6)-(3-iodobenzyl)-5-N-methylcarboxamidoadenosine |
UNII-30679UMI0N |
1-Deoxy-1-(6-(((3-iodophenyl)methyl)amino)-9H-purin-9-yl)-N-methyl-beta-D-ribofuranuronamide |
CHEMBL119709 |
CHEBI:73286 |
30679UMI0N |
Cf101 |
(2S,3S,4R,5R)-3,4-dihydroxy-5-6-(3-iodophenyl)methylaminopurin-9-yl-N-methyloxolane-2-carboxamide |
3-iodobenzyl-5-N-methylcarboxamidoadenosine |
(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-((3-iodobenzyl)amino)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide |
(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide |
N(6)-(3-iodo-benzyl)adenosine-5-N-methyluronamide |
(2S,3S,4R,5R)-5-{6-(3-iodobenzyl)amino-9H-purin-9-yl}-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamide |
N(6)-(3-Iodobenzyl)adenosine-5-N-methyluronamide |
RPR-113090 |
1-deoxy-1-6-(3-iodophenyl)methylamino-9h-purin-9-yl-n-methyl-beta-d-ribofuranuronamide |
IBMECA |
Piclidenoson USAN |
Piclidenoson (USAN/INN) |
GTPL422 |
MLS002153391 |
SCHEMBL465039 |
REGID_for_CID_123683 |
AOB5361 |
DTXSID50165158 |
HMS2234I04 |
HMS3412E09 |
HMS3676E09 |
3,4-Dihydroxy-5-6-(3-iodo-benzylamino)-purin-9-yl-tetrahydro-furan-2-carboxylic acid methylamide |
CF-101; IB-MECA; Piclidenoson |
EX-A2514 |
ZINC3811810 |
BDBM50118812 |
MFCD00671785 |
SI-615 |
AKOS024456363 |
CS-5048 |
DB05511 |
IB-MECA, solid, >=98% (HPLC) |
NCGC00024978-02 |
NCGC00024978-03 |
NCGC00024978-04 |
NCGC00024978-05 |
NCGC00024978-09 |
AS-16876 |
beta-D-Ribofuranuronamide, 1-deoxy-1-(6-(((3-iodophenyl)methyl)amo)-9H-purin-9-yl)-N-methyl- |
HY-13591 |
SMR001230772 |
D10971 |
A848868 |
J-008958 |
N6-(3-iodobenzyl)-5-N-methylcarboxamidoadenosine" |
(N-6-(3-iodobenzyl)adenosine-5-N-methyluronamide |
Q27088384 |
Adenosine, N(6)-3-iodobenzyl-4-methylcarbamoyl-4-dehydroxymethyl- |
1-Deoxy-1-6-(3-iodophenyl)methylamino-9H-purin-9-yl-N-methyl-?-D-ribofuranuronamide |
(2R,3R,4S,5S)-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide;CF 101 |
(2S,3S,4R,5R)-3,4-Dihydroxy-5-6-(3-iodo-benzylamino)-purin-9-yl-tetrahydro-furan-2-carboxylic acid methylamide |
(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide |
(3R,4S,5R)-3,4-Dihydroxy-5-6-(3-iodo-benzylamino)-purin-9-yl-tetrahydro-furan-2-carboxylic acid methylamide |
(3S,4R,5R)-3,4-Dihydroxy-5-6-(3-iodo-benzylamino)-purin-9-yl-tetrahydro-furan-2-carboxylic acid methylamide |
1-Deoxy-1-6-(3-iodophenyl)methylamino-9H-purin-9-yl-N-methyl-beta-D-ribofuranuronamide;N6-(3-Iodobenzyl)adenosine-5-N-methyluronamide;(2R,3R,4S,5S)-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide;CF 101" |
Experimental Data
IB-MECA
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -18.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
IB-MECA
Statistics Data
IB-MECA
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -18.000000000000000 | 1 | 1 |
Statistics Data Visualization
IB-MECA
