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Nucleosides and nucleotides

Nitd-449

Also known as 2'-C-Acetylene-7-deaza-7-carbamoyladenosine, 7H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-(2-c-ethynyl-beta-d-ribofuranosyl)-2'-C-Acetylene-7-deaza-7-carbamoyladenosine, 7H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-(2-c-ethynyl-beta-d-ribofuranosyl)-

CAS 1207518-62-4Formula C14H15N5O5Molar mass 333.30 g/mol
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Nitd-449 chemical structure, C14H15N5O5, CAS 1207518-62-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1207518-62-4
Formula
C14H15N5O5
Molar mass
333.30 g/mol
HS code
293499
Category
Nucleosides and nucleotides

What is Nitd-449?

Plain description, key identifiers and synonyms

Nitd-449 is a chemical substance with the molecular formula C14H15N5O5 and a molar mass of 333.30 g/mol. Its CAS registry number is 1207518-62-4. The IUPAC name is 4-amino-7-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-amino-7-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CAS number
1207518-62-4 CAS number cross-checked
Molecular formula
C14H15N5O5
UNII
14279TVB5R
InChIKey
HRAYXWGUYHJDEA-MVNCPAOLSA-N
InChI
InChI=1S/C14H15N5O5/c1-2-14(23)9(21)7(4-20)24-13(14)19-3-6(11(16)22)8-10(15)17-5-18-12(8)19/h1,3,5,7,9,13,20-21,23H,4H2,(H2,16,22)(H2,15,17,18)/t7-,9-,13-,14-/m1/s1
Canonical SMILES
C#CC1(O)C(O)C(CO)OC1n1cc(C(N)=O)c2c(N)ncnc21
Isomeric SMILES
C#C[C@]1([C@@H]([C@H](O[C@H]1N2C=C(C3=C(N=CN=C32)N)C(=O)N)CO)O)O

Synonyms

  • 2'-C-Acetylene-7-deaza-7-carbamoyladenosine
  • 7H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-(2-c-ethynyl-beta-d-ribofuranosyl)-2'-C-Acetylene-7-deaza-7-carbamoyladenosine
  • 7H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-(2-c-ethynyl-beta-d-ribofuranosyl)-
  • 4-Amino-7-(2-C-ethynyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
  • 4-Amino-7-(2-Cethynyl-|A-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
  • 4-amino-7-((2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid amide

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
333.30 g/molcalc.
Exact mass
333.1073 Dacalc.
LogP (octanol/water)
-2.27calc.
Topological polar surface area
169.7 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
3calc.
Heavy atoms
24calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ncc2ccn(C3CCCO3)c2n1

c1ncc2ccn(C3CCCO3)c2n1

3 rings, 14 atoms.

494 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Nitd-449 suppliers

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Where suppliers are based

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Nitd-449 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Nitd-449 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Nitd-449 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Nitd-449, based on the data on this page

What is Nitd-449?

Nitd-449 is a chemical substance with the molecular formula C14H15N5O5 and a molar mass of 333.30 g/mol. Its CAS registry number is 1207518-62-4. The IUPAC name is 4-amino-7-[(2R,3R,4R,5R)-3-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide.

What is the CAS number of Nitd-449?

The CAS registry number of Nitd-449 is 1207518-62-4.

What is the molecular formula and weight of Nitd-449?

The molecular formula of Nitd-449 is C14H15N5O5 and its molar mass is 333.30 g/mol.

Is Nitd-449 hazardous?

No GHS hazard classification for Nitd-449 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Nitd-449?

Nitd-449 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Nitd-449?

CompoundList lists 1 supplier of Nitd-449 in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Nitd-449?

Suppliers quote Nitd-449 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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