CAS No.123948-87-8,Topotecan Suppliers

Products Categories

Pharmaceutical (79)
Plant Extract (30)
Others (29)
Organic Chemicals (20)
Reagent (6)
Materials (3)
Agrochemicals (1)

Basic Information

Molecular Structure:
CAS No.:	123948-87-8
Name:	Topotecan
Article Data:	8

Formula:	C₂₃H₂₃N₃O₅
Molecular Weight:	421.453
Synonyms:	4-Ethyl-4,9-dihydroxy-10-[(dimethylamino)methyl]-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione;9-Dimethylaminomethyl-10-hydroxycamptothecin;(S)-10-((Dimethylamino)methyl)-4-ethyl-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,10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-, (4S)-;
EINECS:	231-595-7
Density:	1.49 g/cm³
Melting Point:	?114 °C
Boiling Point:	782.9 °C at 760 mmHg
Flash Point:	427.3 °C
Solubility:	soluble in water
Appearance:	light yellow needle crystal or crystalline powder
Hazard Symbols:	T,C,F,Xi
Risk Codes:	36/37/38-67-35-20-11-34
Safety:	26-45-36/37/39-37/39
Transport Information:	UN 3286 3/PG 2
PSA:	104.89000
LogP:	1.84680

Synthetic route

: 50-00-0
formaldehyd

: 19685-09-7
(S)-10-hydroxycamptothecin

: 124-40-3
dimethyl amine

: 123948-87-8
topotecan

Conditions

Conditions	Yield
With acetic acid Mannich reaction;	65%
In acetic acid at 40 - 90℃; Mannich Aminomethylation;

...Expand

: 75-09-2
dichloromethane

: 19685-09-7
(S)-10-hydroxycamptothecin

: 124-40-3
dimethyl amine

: 123948-87-8
topotecan

Conditions

Conditions	Yield
With potassium carbonate at 20℃; for 5h; Mannich reaction;	65%

...Expand

: 7689-03-4
camptothecin

: 123948-87-8
topotecan

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: H2; AcOH / PtO2 1.2: 51 percent / Pb(OAc)4; AcOH 2.1: 65 percent / aq. AcOH View Scheme

: 19685-09-7
(S)-10-hydroxycamptothecin

: 30354-18-8
N,N-dimethyl(methylene)ammonium chloride

: 123948-87-8
topotecan

Conditions

Conditions	Yield
With triethylamine In dichloromethane; isopropyl alcohol at 20 - 35℃; for 12h; Mannich Reaction;

: 994-30-9
triethylsilyl chloride

: 123948-87-8
topotecan

: 1004511-35-6
20-OTES topotecan

Conditions

Conditions	Yield
Stage #1: topotecan With 1H-imidazole In N,N-dimethyl-formamide for 0.166667h; Inert atmosphere; Stage #2: triethylsilyl chloride With dmap In N,N-dimethyl-formamide	94%
With 1H-imidazole; dmap In N,N-dimethyl-formamide for 52.1667h;	94%

: 123948-87-8
topotecan

: 284049-22-5
tert-butyl (2-isocyanatoethyl)carbamate

: (S)-tert-butyl (10-((dimethylamino)methyl)-4-ethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl) ethane-1,2-diyldicarbamate

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide; acetonitrile at 0 - 20℃; for 2h;	69%

: 123948-87-8
topotecan

: 113238-61-2
tert-butyl 2-isocyanatoacetate

: (S)-tert-butyl 2-((((10-((dimethylamino)methyl)-4-ethyl-4- hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl)oxy)carbonyl)amino)acetate

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide; acetonitrile at 0 - 20℃; for 2h;	68%

: 123948-87-8
topotecan

: 145577-00-0
[11C]methyl triflate

: 9-[([11C]trimethylammonium)methyl]-10-hydroxy-20(S)-camptothecin triflate

Conditions

Conditions	Yield
In acetonitrile	60%
In acetonitrile at -15 - 80℃;

: 123948-87-8
topotecan

: Topotecan hydroxyl acid

Conditions

Conditions	Yield
With phosphate buffer Ambient temperature; other camptothecin lactone; also in the presence of DNA oligonucleotides; rate of hydrolysis;
With poly(DL-lactide-co-glycolide); poly(vinyl alcohol) In various solvents at 37℃; for 192h; pH=7.4; Product distribution; Kinetics; Further Variations:; reaction times; Hydrolysis;
With water at 37℃;

: 123948-87-8
topotecan

: 119413-54-6, 123949-07-5
Topotecan hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In methanol; water at 10 - 30℃; for 2h; Product distribution / selectivity;

Total:148 Page 1 of 4 1 2 3 4 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 123948-87-8

Specification

1. Introduction of Topotecan

The Topotecane with CAS registry number of 123948-87-8, has the systematic name is (4S)-10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione. It belongs to product categories of APIs. This chemical is a light yellow needle crystal or crystalline powder and it can be used as anti-cancer drugs.

2. Properties of Topotecan

Physical properties about Topotecane are: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.06; (4)ACD/LogD (pH 7.4): 0.45; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 21.36; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 81.2Å²; (13)Index of Refraction: 1.733; (14)Molar Refractivity: 112.73 cm³; (15)Molar Volume: 281.3 cm³; (16)Polarizability: 44.69×10^-24cm³; (17)Surface Tension: 82.8 dyne/cm; (18)Density: 1.49 g/cm³; (19)Flash Point: 427.3 °C; (20)Enthalpy of Vaporization: 119.49 kJ/mol; (21)Boiling Point: 782.9 °C at 760 mmHg; (22)Vapour Pressure: 8.13E-26 mmHg at 25 °C

3. Structure Descriptors of Topotecan

You could convert the following datas into the molecular structure:
1). Canonical SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=C(C5=C4)CN(C)C)O)O
2). Isomeric SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=C(C5=C4)CN(C)C)O)O
3). InChI: InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1
4). InChIKey: UCFGDBYHRUNTLO-QHCPKHFHSA-N

4. Preparation of Topotecan

Preparation of Topotecane: it is prepared by reaction of 37% formaldehyde with 40% dimethylamine. Besides, The reaction needs reagent acetic acid.

Topotecan hydrochloride is prepared by reaction of 37% formaldehyde with 40% dimethylamine.

5. Safety Information of Topotecan

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it has highly flammable and may causes severe burns. What's more, it is harmful by inhalation. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you feel unwell or accident happens seek medical advice immediately.