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7-Ethyl-10-hydroxycamptothecin(CAS No. 86639-52-3)

7-Ethyl-10-hydroxycamptothecin C22H20N2O5 (cas 86639-52-3) Molecular Structure

86639-52-3 Structure

Identification and Related Records

【Name】
7-Ethyl-10-hydroxycamptothecin
【CAS Registry number】
86639-52-3
【Synonyms】
(4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano(3,4:6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione
1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline- 3,14(4H,12H)-dione,4,11-diethyl-4,9- dihydroxy-,(4S)-
Captothecin, 7-ethyl-10-hydroxy-
1H-Pyrano(3,4:6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4,7-diethyl-4,10-dihydroxy-
7-Ethyl-10-hydroxy-camptothecin
7-Ethyl-10-Hydroxycamptothecin (SN-38)
7-Ethyl-10-Hydroxy CPT
7-Ethyl-10-Hydroxy Camptothecine
7-Ethyl-10-hydroxycamptothecin (TECANS)
7-Ethyl-10-hydroxycamptothecin (SN38)
7-Ethyl-10- Hydroxycamptothecin
7-Ehthy-10-Hydroxycamptothecin
7-etyl-10-hydroxycamptothecin
7-Ethyl-10-hydroxy-camptothecine
7-ethyl-Hydroxycamptothecin
7-ethyl-Camptothecin
【Molecular Formula】
C22H20N2O5 (Products with the same molecular formula)
【Molecular Weight】
392.40
【Inchi】
InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1
【Canonical SMILES】
CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)O
【Isomers smiles】
CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)O
【MOL File】
86639-52-3.mol

Chemical and Physical Properties

【Appearance】
light-yellow solid
【Density】
1.51 g/cm3
【Melting Point】
217 °C
【Boiling Point】
810.3 °C at 760 mmHg
【Refractive Index】
21.5 ° (C=0.2, THF)
【Flash Point】
443.8 °C
【Storage temp】
?20°C
【Computed Properties】
Molecular Weight:392.4046 [g/mol]
Molecular Formula:C22H20N2O5
XLogP3-AA:1.4
H-Bond Donor:2
H-Bond Acceptor:6
Rotatable Bond Count:2
Tautomer Count:3
Exact Mass:392.137222
MonoIsotopic Mass:392.137222
Topological Polar Surface Area:100
Heavy Atom Count:29
Formal Charge:0
Complexity:820
Isotope Atom Count:0
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Donor Count:2
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:5
Effective Rotor Count:2.8
Conformer Sampling RMSD:0.8
CID Conformer Count:1

Safety and Handling

【Specification】

?7-Ethyl-10-hydroxycamptothecin (CAS NO.86639-52-3) is also named as (4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione ; 7-Ethyl-10-hydroxy-20(S)-camptothecin ; Captothecin, 7-ethyl-10-hydroxy- ; NK 012 ; SN 38 ; SN 38 lactone ; SN-38 ; UNII-0H43101T0J?; H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4,11-diethyl-4,9-dihydroxy-, (S)-?.?7-Ethyl-10-hydroxycamptothecin (CAS NO.86639-52-3) is?light-yellow solid.

Use and Manufacturing

【Usage】

A metabolite of Irinotecan, a DNA topoisomerase inhibitor

Biomedical Effects and Toxicity

【Biological Activity】
Active metabolite of CPT-11 that inhibits DNA topoisomerase I (IC 50 values are 0.74 and 1.9 μ M in P388 and Ehrlich cells respectively). Inhibits DNA and RNA synthesis (IC 50 values are 0.077 and 1.3 μ M respectively) but does not affect protein synthesis. Displays potent antitumor activity against a range of human tumor cell lines (IC 50 values are 3.3, 13, 19 and 22 nM for HCT-116, BEL-7402, HL60 and HELA cells respectively).
【Pharmacological Action】
- Agents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity.
- Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells.
- Compounds that inhibit the activity of DNA TOPOISOMERASE I.

Supplier Location

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Diamond member Jinlan Pharm-Drugs Technology Co., Limited
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Diamond member Hangzhou J&H Chemical Co., Ltd
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Telephone:86-571-87396430
Diamond member KEDE CHEMICAL CO., LTD.
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Telephone:86-576-84613060
Hebei LuXi Bio-Technology Co.,Ltd
Country:ChinaChina
Business Type:Trading Company
Telephone:0086-319-3157755
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