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TH1338

CAT: 0804-HY-120574-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-120574-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TH1338 (compound 3b), an orally active camptothecin derivative and a potent chemotherapeutic agent for cancer, demonstrates excellent cytotoxic potency against human tumor cell lines in vitro. TH1338 (compound 3b) possesses significant brain penetration, favorable efflux pump properties, and hematological toxicity profile[1][2].
CAS Number
1258494-60-8
UNSPSC
12352005
Hazard Statement
H301
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/th1338.html
Purity
98.77
Solubility
DMSO : 10 mg/mL (ultrasonic)
Smiles
O=C1[C@](O)(CC)C2=C(CO1)C(N3CC4=C(CC)C5=CC=CC=C5N=C4C3=C2N)=O
Molecular Formula
C22H21N3O4
Molecular Weight
391.42
Precautions
H301
References & Citations
[1]Jian-Xin Duan, et al. 14-Aminocamptothecins: their synthesis, preclinical activity, and potential use for cancer treatment. J Med Chem. 2011 Mar 24;54 (6) :1715-23.|[2]Xia Cheng, et al. Preparation, Characterization, and In Vivo Study of 7-Ethyl-14-Aminocamptothecin-Loaded Poly (Ethylene Glycol) 2000 -Poly (Lactic Acid) 2000 Polymeric Micelles Against H460 Human Nonsmall Cell Lung Carcinoma. J Pharm Sci. 2015 Nov;104 (11) :3934-3942.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(S)-5-Amino-4,11-diethyl-4-hydroxy-1,12-dihydro-14H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H)-dione
CAS Number1258494-60-8
PubChem CID53318291
IUPAC Name(19S)-21-amino-10,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
Molecular FormulaC22H21N3O4
Molecular Weight391.4
XLogP0.8
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity834
SMILES
CCC1=C2CN3C(=C(C4=C(C3=O)COC(=O)[C@@]4(CC)O)N)C2=NC5=CC=CC=C51
InChI
InChI=1S/C22H21N3O4/c1-3-11-12-7-5-6-8-15(12)24-18-13(11)9-25-19(18)17(23)16-14(20(25)26)10-29-21(27)22(16,28)4-2/h5-8,28H,3-4,9-10,23H2,1-2H3/t22-/m0/s1
InChIKey
GDSWDKUWTYXXOX-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of (S)-5-Amino-4,11-diethyl-4-hydroxy-1,12-dihydro-14H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H)-dione
CAS: 1258494-60-8
CID: 53318291
Formula: C22H21N3O4
MW: 391.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.4
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass391.15320616
Monoisotopic Mass391.15320616
Topological Polar Surface Area106 Ų
Heavy Atom Count29
Formal Charge0
Complexity834
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

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CatalogName
HY-123604-01TH1834
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CatalogName
T28959-01TH1338
A13445-10TH1338 10mg
A13445-5TH1338 5mg
A13445-100TH1338 100mg
A13445-50TH1338 50mg
A13445-25TH1338 25mg

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