7-Ethyl-10-Hydroxycamptothecin

Details

• Internal ID: 5c75ee50-b9a4-4725-ba69-69ea38b8135f
• Taxonomy: Alkaloids and derivatives > Camptothecins
• IUPAC Name: (19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
• 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
• InChI Key: FJHBVJOVLFPMQE-QFIPXVFZSA-N
• Popularity: 727 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₂₀N₂O₅
• Molecular Weight: 392.40 g/mol
• Exact Mass: 392.13722174 g/mol
• Topological Polar Surface Area (TPSA): 100.00 Ų
• XlogP: 1.40

Synonyms

• 86639-52-3
• SN-38
• SN 38 lactone
• SN 38
• 10-Hydroxy-7-ethylcamptothecin
• NK-012
• 7-Ethyl-10-hydroxy-20(S)-camptothecin
• NK 012
• NK012
• 0H43101T0J
• CAMPTOTHECIN, 7-ETHYL-10-HYDROXY-
• CHEBI:8988
• DTXSID4040399
• (4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione
• (4S)-4,11-diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
• (19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
• (1S,2S,3R)-1-(3,4-dihydroxy-5-methoxy-phenyl)-2,3,7-trihydroxy-3-(hydroxymethyl)-6-methoxy-tetralin-2-carboxylic acid
• 1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLINE-3,14(4H,12H)-DIONE, 4,11-DIETHYL-4,9-DIHYDROXY-, (4S)-
• H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4,11-diethyl-4,9-dihydroxy-, (S)-
• (19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo(11.8.0.02,11.04,9.015,20)henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
• 1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4,11-diethyl-4,9-dihydroxy-, (4S)-
• RefChem:914300
• 7 Ethyl 10 hydroxycamptothecin
• DTXCID2020399
• 7-Ethyl-10-hydroxy-camptothecin
• (S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
• MFCD00871873
• SN38
• C22H20N2O5
• 7-10-hydroxycamptothecin
• (19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
• IT-141
• NSC673596
• (4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)dione
• 113015-38-6
• LE-SN38
• Captothecin, 7-ethyl-10-hydroxy-
• UNII-0H43101T0J
• 7-Ethyl-10-hydroxycamptothecin ((S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione)
• AvaChem1025
• SN-38 (Standard)
• (+)-7-ETHYL-10-HYDROXYCAMPTOTHECIN
• diethyl(dihydroxy)[?]dione
• SCHEMBL34018
• GTPL6925
• orb1307686
• orb3141304
• SN 38 [WHO-DD]
• SCHEMBL29354078
• SCHEMBL29359781
• 10-hydroxy-7-ethyl camptothecin
• 10-hydroxy-7-ethyl-camptothecin
• EX-A989
• HMS3413B12
• HMS3652P12
• HMS3677B12
• HMS3753E15
• 7-Ethyl-10-hydroxy-20(S)-CPT
• BDBM50418088
• EBC-11025
• HY-13704R
• MSK162382
• s4908
• AKOS015920433
• AC-1357
• CCG-264764
• CS-1579
• DB05482
• FE29579
• NSC-673596
• SN-38(NK-012)?
• NCGC00167831-01
• NCGC00167831-05
• NCGC00167831-09
• 110714-48-2
• AS-13533
• BP-24513
• Camptothecin 7-Ethyl-10-Hydroxy Impurity
• HY-13704
• NCI60_026056
• SY013197
• E0748
• NS00069821
• SW219948-1
• S-(+)-7-ETHYL-10-HYDROXYCAMPOTHECIN
• EN300-122379
• F046379
• Q1750127
• BRD-K89561498-001-01-7
• BRD-K89561498-001-02-5
• 7-Ethyl-10-hydroxycamptothecin, >=98% (HPLC), powder
• Z1541759909
• Irinotecan EP Impurity E; Camptothecin 7-Ethyl-10-Hydroxy Impurity
• (19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
• (4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)dione, AldrichCPR
• (S)-4,11-Diethyl-4,9-di-OH-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione
• 1H-Pyrano[3',7]indolizino[1,2-b]quinoline- 3,14(4H,12H)-dione, 4,11-diethyl-4,9-dihydroxy-, (4S)-
• RS4

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL1781	P11387	DNA topoisomerase I	70 nM	EC50	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	99.32%	85.14%
CHEMBL2581	P07339	Cathepsin D	97.43%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	95.63%	86.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.19%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.89%	96.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.78%	89.00%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	88.19%	94.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.07%	95.56%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.42%	99.23%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.58%	94.45%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	85.41%	93.40%
CHEMBL5103	Q969S8	Histone deacetylase 10	84.87%	90.08%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	83.79%	93.10%
CHEMBL4940	P07195	L-lactate dehydrogenase B chain	80.71%	95.53%
CHEMBL4829	O00763	Acetyl-CoA carboxylase 2	80.65%	98.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 104842
• LOTUS: LTS0197635
• wikiData: Q1750127