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Carmofur

HCID 2577
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Grundinformationen

CAS
61422-45-5
Standard-SMILES
CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIKey
AOCCBINRVIKJHY-UHFFFAOYSA-N
Summenformel
C11H16FN3O3
Durchschnittliche Molmasse
257,26 g/mol
Monoisotopische Masse
257,11756954

Namen und Bezeichner

Bevorzugter Name
Carmofur
IUPAC
5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
Englischer Name
Carmofur
Summenformel
C11H16FN3O3
Molmasse
257.26

Namen und Synonyme

carmofur61422-45-5MifurolHCFU1-Hexylcarbamoyl-5-fluorouracilCarmofurum1(2H)-Pyrimidinecarboxamide, 5-fluoro-N-hexyl-3,4-dihydro-2,4-dioxo-DTXSID2045941HA82M3RAB2NSC-758963DTXCID0025941N-hexylcarbamoyl-5-fluorouracil
Weitere Namen anzeigen
HCFUTMCarmofur >Carmofur CarmofurCarmofur, ≥ 98.0%Carmofur USP/EP/BPCarmofur - Bio-X ?Carmofur, 10 mM in DMSO
RefChem:574685L01BC045-Fluoro-1-(hexylaminocarbonyl)uracil5-fluoro-N-hexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-1-carboxamide689-431-9C11H16FN3O35-fluoro-N-hexyl-2,4-dioxo-3,4-dihydropyrimidine-1(2H)-carboxamideMFCD00866284

Datenbank-Bezeichner

CAS
61422-45-5
PubChem CID
2577
DTXSID
DTXSID2045941
ChEMBL
CHEMBL460499
ChEBI
CHEBI:31360
UNII
HA82M3RAB2
EC Number
689-431-9
Nikkaji
J1.101K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,6
Polarare Oberfläche (TPSA)
78,5 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
5
Schwere Atome
18
Formalladung
0
Komplexität
382

Experimentelle und physikochemische Eigenschaften

Melting Point283
Collision Cross Section · 1 Eintrag

153.85 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards];158.89 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards];157.91 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards];148.42 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Schmelzpunkt
110 · 110-111
Dichte
1.2287 · 1.2287 (estimate)
storage temp.
2 · 2-8°C
Löslichkeit
15 mg/mL · DMSO: >15mg/mL
Aggregatzustand
powder
pka
6.94 · 6.94±0.10(Predicted)
Farbe
white to off-white
Merck
14 · 14,1844
InChI
1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)
InChIKey
AOCCBINRVIKJHY-UHFFFAOYSA-N
SMILES
CCCCCCNC(=O)N1C=C(F)C(=O)NC1=O
CAS Datenbank
61422 · 61422-45-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral];H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (100%);Repr. 2 (100%)

Sicherheitsdaten

wgk
3
ridadr
UN 2811 6.1 / PGII
hs_code
29335990
RTECS-Nr.
UV7714000
risk_code
60-61-25
hazard_code
Xi,T
hazard_note
Irritant
safety_code
45
hazard_class
6.1
packing_group
III
Speicherklasse
6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications
Acute Tox. 3 OralRepr. 2

Chemie und Industrie

Pharmakologische Informationen

ATC Code · 2 Einträge

L - Antineoplastic and immunomodulating agents;L01 - Antineoplastic agents;L01B - Antimetabolites;L01BC - Pyrimidine analogues;L01BC04 - Carmofur

QL - Antineoplastic and immunomodulating agents;QL01 - Antineoplastic agents;QL01B - Antimetabolites;QL01BC - Pyrimidine analogues;QL01BC04 - Carmofur

MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
Anwendungen · 2 Einträge

BeschreibungCarmofur is an inhibitor of acid ceramidase (IC50 = 79 nM for the rat enzyme) and a derivative of 5-flurouracil . It reduces acid ceramidase activity in a dose- and time-dependent manner and induces intracellular accumulation of various ceramide species, including C18 ceramide , C16 ceramide , and C14 ceramide in SW403 colon and LNCaP prostate cancer cells. Carmofur induces apoptosis in SW403 cells without inhibiting DNA synthesis (IC50 = 1,212 mM for human thymidylate synthetase). It also reduces acid ceramidase activity and increases ceramide accumulation in mouse lung and brain when administered at doses of 10 and 30 mg/kg.

VerwendenCarmofur has been used as an inhibitor of acid ceramidase to study its effects on glucosylsphingosine (GlcSph) production in human embryonic kidney 293T (HEK293T) cells. It has also been used as an inhibitor of acid ceramidase to study its effects on acid‐mediated hydrolysis of ceramide which kicks-in consumption and the generation of sphingosine .

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

1-HexylisocyanatFluoruracil

Anbieter93 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
武汉泰易成生化药业有限公司027-88320699 · [email protected]
学研惠(武汉)科技有限公司15727060112 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
贵州迪大科技有限责任公司0851-8475-2296 18096062265 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
ChemeGen 中国18818260767 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected];[email protected];[email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
南京百鑫德诺生物科技有限公司025-58849295 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
TargetMol中国(陶术生物)021-021-33632979 15002134094 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
武汉鑫儒化工有限公司15927387915 15337108568 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
上海超岚化工科技中心(原宁波市超明生物科技有限公司)13301662590 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
风咏生物(AbMole)021-10000000 13000000000 · [email protected]
上海珞珐生化科技有限公司021-51111890 15317326293 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
广州市齐云生物技术有限公司020-61288194 61288195 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
南京罗迈美生物科技有限公司[email protected]

Zugehörige Reaktionen

2
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 693533
HRID 693533als ProduktTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaktionsgleichung von HRID 1834767
HRID 1834767als Produktuspto-grants-1978_01

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