loading...| Preferred Name |
gemcitabine |
|
| Synonyms |
InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1 2'-Deoxy-2',2'-difluorocytidine C9H11F2N3O4 2',2'-Difluorodeoxycytidine gemcitabinum gemcitabina gemcitabine 4-amino-1-((2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one InChIKey=SDUQYLNIPVEERB-QPPQHZFASA-N Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 2'-deoxy-2',2'-difluorocytidine |
|
| Definitions |
A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. Gemcitabine is used in various carcinomas: non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer. A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_175901 |
|
| alternative term |
InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1 2'-Deoxy-2',2'-difluorocytidine C9H11F2N3O4 2',2'-Difluorodeoxycytidine gemcitabinum gemcitabina gemcitabine 4-amino-1-((2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one InChIKey=SDUQYLNIPVEERB-QPPQHZFASA-N Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 2'-deoxy-2',2'-difluorocytidine |
|
| charge |
0 |
|
| chemical has protein target |
http://purl.obolibrary.org/obo/PR_P23921 |
|
| chemical inhibits protein |
http://purl.obolibrary.org/obo/PR_P23921 |
|
| database_cross_reference |
CiteXplore:18773046 CiteXplore:11901308 CiteXplore:18166944 CiteXplore:18086345 CiteXplore:19177022 Beilstein:5382060 CiteXplore:11859947 PMID:11122828 CiteXplore:17639396 PMID:18348652 CiteXplore:11585734 PMID:11221019 Drug_Central:1283 PMID:14606642 Patent:EP2108368 Reaxys:5382060 CiteXplore:11142482 PMID:16555971 CiteXplore:15160243 CiteXplore:12571808 CiteXplore:11489002 CiteXplore:12917815 CiteXplore:18348652 CiteXplore:17429628 PMID:17639396 Patent:US2010111852 ChEMBL:175901 PMID:12057041 PMID:12057046 CiteXplore:14720338 CiteXplore:11034044 PMID:11510027 CiteXplore:16143373 CiteXplore:16080557 CiteXplore:16041610 CiteXplore:12743987 CiteXplore:17296587 PMID:18789834 ChemIDplus:95058-81-4 CiteXplore:12142097 DrugBank:DB00441 PMID:17987263 PMID:12115355 PMID:15542781 PMID:15744590 PMID:11088063 Patent:US4808614 PMID:28594276 PDBeChem:GEO PMID:19399788 CiteXplore:16584929 CiteXplore:11061612 CiteXplore:16905983 PMID:11132538 PMID:12722691 PMID:17460420 PMID:17887663 PMID:11061612 PMID:11859947 CiteXplore:15542781 CiteXplore:12954073 DrugBank:95058-81-4 LINCS:LSM-5333 CiteXplore:14653877 CiteXplore:17987263 PMID:22763439 Wikipedia:Gemcitabine PMID:15221904 ChEMBL:17101674 CiteXplore:17347561 PMID:16041610 PMID:16143373 PMID:16500746 PMID:14653877 PMID:11504793 PMID:16894289 CiteXplore:19839926 KEGG:D02368 PMID:18086345 PMID:28912244 PMID:15160243 PMID:19177022 PMID:11585734 PMID:11807603 ChEMBL:18257544 PMID:18257544 PMID:17602464 PMID:16584929 Patent:GB2136425 CAS:95058-81-4 PMID:11034044 ChEMBL:11356111 PMID:17429628 PMID:18166944 PMID:15297392 PMID:16149285 CiteXplore:15221904 CiteXplore:11122828 CiteXplore:12057157 PMID:17347561 CiteXplore:18789834 CiteXplore:11088063 CiteXplore:17460420 PMID:16807463 PMID:16807461 KEGG COMPOUND:95058-81-4 CiteXplore:11374818 CiteXplore:11510027 CiteXplore:16894289 PMID:16905983 ChEMBL:17939651 PMID:19034448 CiteXplore:16001951 CiteXplore:19879060 PMID:12520460 PMID:17939651 KEGG COMPOUND:C07650 PMID:14720338 PMID:12954073 KEGG:C07650 CiteXplore:17296311 CiteXplore:11132538 PMID:11595724 PMID:12798170 CiteXplore:18035967 PMID:12917815 CiteXplore:12761494 PMID:18035967 ChEMBL:18186604 PMID:28608357 PMID:12761494 CiteXplore:12722678 PMID:11356111 KEGG DRUG:D02368 CiteXplore:16500746 PMID:12571808 PMID:17296311 PMID:19879060 PMID:11901308 CiteXplore:14606642 CiteXplore:15297392 CiteXplore:18819792 PMID:11374818 Patent:US2009124797 CiteXplore:16807461 CiteXplore:16807463 CiteXplore:16555971 ChEMBL:17602464 CiteXplore:11807603 CiteXplore:18981552 PMID:12057157 PMID:17941128 PMID:12743987 PMID:18981552 CiteXplore:18050344 KEGG DRUG:95058-81-4 PMID:19839926 PMID:11489002 PMID:16080557 PMID:17101674 PMID:16001951 CiteXplore:16149285 CiteXplore:15282439 PMID:11142482 CiteXplore:12722691 PMID:18050344 PMID:17296587 PMID:18773046 PMID:16317298 PMID:15637766 CiteXplore:11221019 CiteXplore:12115355 Patent:EP2275135 CiteXplore:15744590 CiteXplore:12798170 PMID:15131028 CiteXplore:11504793 CiteXplore:16317298 PMID:12722678 PMID:18819792 ChEMBL:17887663 CiteXplore:17941128 CiteXplore:15637766 CiteXplore:11595724 PMID:15282439 CiteXplore:15131028 CiteXplore:19399788 PMID:18186604 Patent:EP1939198 CiteXplore:19034448 PMID:12142097 CiteXplore:12057041 CiteXplore:12057046 |
|
| definition source | ||
| formula |
C9H11F2N3O4 |
|
| has exact synonym |
2'-deoxy-2',2'-difluorocytidine |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_47868 http://purl.obolibrary.org/obo/CHEBI_35705 http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_59517 http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_35221 http://purl.obolibrary.org/obo/CHEBI_74213 http://purl.obolibrary.org/obo/CHEBI_132992 http://purl.obolibrary.org/obo/CHEBI_36044 |
|
| has_alternative_id |
CHEBI:42752 CHEBI:5295 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1 2'-Deoxy-2',2'-difluorocytidine C9H11F2N3O4 2',2'-Difluorodeoxycytidine gemcitabinum gemcitabina gemcitabine 4-amino-1-((2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one InChIKey=SDUQYLNIPVEERB-QPPQHZFASA-N Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 |
|
| has_RxCUI |
12574 |
|
| id |
CHEBI:175901 |
|
| imported from | ||
| in subset | ||
| inchi |
InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1 |
|
| inchikey |
SDUQYLNIPVEERB-QPPQHZFASA-N |
|
| label |
gemcitabine |
|
| mass |
263.19810 |
|
| monoisotopicmass |
263.07176 |
|
| notation |
CHEBI:175901 |
|
| prefLabel |
gemcitabine |
|
| smiles |
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 |
|
| textual definition |
A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. Gemcitabine is used in various carcinomas: non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer. A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer. |
|
| subClassOf |
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