(3S)-3-Morpholinylmethyl (4-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamate

Basic Information

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CAS Number

714971-09-2

Molecular Formula

C27H27FN8O3

Molecular Weight

530.56 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.48±0.1 g/cm3(Predicted)

SMILES

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CC1=C2C(=NC=NN2C=C1NC(=O)OCC3COCCN3)NC4=CC5=C(C=C4)N(N=C5)CC6=CC(=CC=C6)F

InChI

InChI=1S/C27H27FN8O3/c1-17-23(34-27(37)39-15-22-14-38-8-7-29-22)13-36-25(17)26(30-16-32-36)33-21-5-6-24-19(10-21)11-31-35(24)12-18-3-2-4-20(28)9-18/h2-6,9-11,13,16,22,29H,7-8,12,14-15H2,1H3,(H,34,37)(H,30,32,33)/t22-/m0/s1

InChIKey

LUJZZYWHBDHDQX-QFIPXVFZSA-N

LogP

3.8553200000000007

pKa

7.27±0.46(Predicted)

Topological Polar Surface Area

119.63 Å²

Hydrogen Bond Donor/Acceptor

3 / 11

Complexity

828

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

Store at -20°C

Synonyms & References

English

NS00070341
CHEMBL1645462
NSC-764135
(S)-Morpholin-3-ylmethyl (4-((1-(3-fluorobenzyl)-1H-indazol-5-yl)amino)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamate
s1056
714971-09-2
[(3S)-Morpholin-3-yl]methyl N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
[4-[[1-(3-fluorophenyl)methyl]-1H-indazol-5-ylamino]-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl]-carbamic acid
AC-32830
DB12318
(3S)-3-Morpholinylmethyl-[4-[[1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]-Carbamic acid
[(3S)-morpholin-3-yl]methyl N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
MFCD10565678
CS-0407
J-502499
BMS-599626
NSC-799323
AC1480 (free base)
DTXSID60221714
EX-A2296
BCP9000428
B5520
(S)-morpholin-3-ylmethyl 4-(3-(4-fluorobenzyl)-1H-indazol-6-ylamino)pyrrolo[1,2-f][1,2,4]triazin-6-ylcarbamate
Carbamic acid, N-(4-((1-((3-fluorophenyl)methyl)-1H-indazol-5-yl)amino)-5-methylpyrrolo(2,1-F)(1,2,4)triazin-6-yl)-, (3S)-3-morpholinylmethyl ester
BMS-599626, >=98% (HPLC)
2252724U5N
AKOS015999853
AS-16281
(S)-morpholin-3-ylmethyl-4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)-5-methylpyrrolo[1,2-f][1,2,4]triazin-6-ylcarbamate
NSC799323
SCHEMBL12065349

MDL Number

MFCD10565678

Customs Code

2934.99.4400

FAQ

What regulatory guidelines apply to (3S)-3-Morpholinylmethyl (4-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamate (CAS: 714971-09-2)?

The compound (3S)-3-Morpholinylmethyl (4-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamate (CAS: 714971-09-2) is subject to various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA requirements. This compound is classified under GHS as a hazardous substance due to its potential toxicity and may need to comply with specific toxicity and environmental guidelines. REACH regulations mandate registration for substances above 1 tonne per year, and FDA/EPA may have labeling and handling requirements.

Are there alternatives to (3S)-3-Morpholinylmethyl (4-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamate (CAS: 714971-09-2) in synthesis?

In synthesizing (3S)-3-Morpholinylmethyl (4-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamate (CAS: 714971-09-2), alternatives may include using different functional groups or substituents, such as morpholino analogs or other amine derivatives. Common substitutes include morpholine, piperidine, or other heterocyclic amines. These alternatives can offer similar functionalities or can be tailored to meet specific synthetic needs or regulatory requirements.

What is the market or research trend for (3S)-3-Morpholinylmethyl (4-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamate (CAS: 714971-09-2)?

The market for (3S)-3-Morpholinylmethyl (4-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamate (CAS: 714971-09-2) is currently focused on its potential in medicinal chemistry, particularly in drug discovery and development for various therapeutic targets. Research trends indicate increasing interest in this compound due to its unique structure and potential biological activities. Market trends suggest growing demand for compounds with novel chemical structures and improved pharmacological properties.

How should waste containing (3S)-3-Morpholinylmethyl (4-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamate (CAS: 714971-09-2) be handled?

Waste containing (3S)-3-Morpholinylmethyl (4-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)carbamate (CAS: 714971-09-2) should be managed according to hazardous waste disposal guidelines. Waste liquids should be collected in appropriate containers, sealed, and labeled. Incineration or professional waste disposal services should be utilized to handle the waste. Environmental protection precautions include ensuring that waste is not released into the environment and that all handling and disposal activities comply with local, national, and international regulations.