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(R) -Exatecan Intermediate 1

CAT: 0804-HY-42487B-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-42487B-01Size:25 mg
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Description
(R) -Exatecan Intermediate 1 is an isomer of Exatecan Intermediate 1. Exatecan Intermediate 1 (compound 6) is an intermediate of Exatecan (HY-13631), a camptothecin-based anticancer agent. Exatecan inhibits tumor growth by interfering with the proliferation and division of tumor cells by interacting with DNA. Exatecan is primarily used in research into a variety of cancers including ovarian, lung and breast cancer[1][2].
CAS Number
110351-91-2
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
ADC Payload; Topoisomerase
Type
Reference compound
Related Pathways
Antibody-drug Conjugate/ADC Related; Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/r-exatecan-intermediate-1.html
Concentration
10mM
Purity
99.99
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1[C@@](O)(CC)C(C=C23)=C(CO1)C(N3CCC2=O)=O
Molecular Formula
C13H13NO5
Molecular Weight
263.25
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Camptothecins

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

CatalogName
HY-42487-01Exatecan Intermediate 1
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HY-45169-01Exatecan intermediate 13
HY-45171-01Exatecan intermediate 12
HY-43564-01Exatecan Intermediate 5
HY-400316Exatecan intermediate 8
HY-W021377-01Exatecan Intermediate 2
HY-W021377B-01Exatecan Intermediate 4

Alternative Products

CatalogName
T208344-01Exatecan intermediate 8
T89644-01Exatecan Intermediate 6
GTR19237710-01Exatecan Intermediate 2
GTR19237584-01Exatecan Intermediate 4
GTR19280943-01Exatecan intermediate 13
T208351-01Exatecan intermediate 10
T89661-01Exatecan intermediate 9
T89654-01Exatecan Intermediate 5
PC110167Exatecan Intermediate 7
GTR19261406-01Exatecan Intermediate 3

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