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(R) -Exatecan Intermediate 1

CAT: 0931-T89646-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T89646-01Size:10 mg
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CAS Number
110351-91-2
Target
ADC Cytotoxin
Related Pathways
Antibody-drug Conjugate/ADC Related
Bioactivity
(R) -Exatecan Intermediate 1 is an isomer of Exatecan Intermediate 1. Known as compound 6, Exatecan Intermediate 1 serves as a precursor in the synthesis of Exatecan, a camptothecin-class anticancer agent. Exatecan acts by interfering with DNA to inhibit the proliferation and division of tumor cells, effectively suppressing tumor growth. It is primarily researched for its potential use in treating various cancers, including ovarian, lung, and breast cancer.
Smiles
C(C)[C@@]1(O)C2=C(C(=O)N3C(=C2)C(=O)CC3)COC1=O
Molecular Formula
C13H13NO5
Molecular Weight
263.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(R)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione
CAS Number110351-91-2
PubChem CID13891179
IUPAC Name(4R)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10-trione
Molecular FormulaC13H13NO5
Molecular Weight263.25
XLogP-0.8
Topological Polar Surface Area83.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity574
SMILES
CC[C@]1(C2=C(COC1=O)C(=O)N3CCC(=O)C3=C2)O
InChI
InChI=1S/C13H13NO5/c1-2-13(18)8-5-9-10(15)3-4-14(9)11(16)7(8)6-19-12(13)17/h5,18H,2-4,6H2,1H3/t13-/m1/s1
InChIKey
IGKWOGMVAOYVSJ-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of (R)-4-Ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione
CAS: 110351-91-2
CID: 13891179
Formula: C13H13NO5
MW: 263.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.25
XLogP3-0.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass263.07937252
Monoisotopic Mass263.07937252
Topological Polar Surface Area83.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity574
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

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T88858-01(rac) -Exatecan Intermediate 1
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T89644-01Exatecan Intermediate 6
T208351-01Exatecan intermediate 10
T89661-01Exatecan intermediate 9
T89654-01Exatecan Intermediate 5
T208436-01Exatecan intermediate 11
T89775-01Exatecan Intermediate 4
T89643-01Exatecan Intermediate 2

Alternative Products

CatalogName
HY-45169-01Exatecan intermediate 13
HY-45171-01Exatecan intermediate 12
HY-43564-01Exatecan Intermediate 5
HY-400316Exatecan intermediate 8
GTR19237710-01Exatecan Intermediate 2
GTR19237584-01Exatecan Intermediate 4
HY-49861Exatecan intermediate 11
PC110167Exatecan Intermediate 7
GTR19237698-01Exatecan intermediate 9
GTR19261406-01Exatecan Intermediate 3

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