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Nucleosides and nucleotides

Neca

Also known as N-ethyl-5'-carboxamidoadenosine, (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide, 5'-N-Ethylcarboxamidoadenosine

CAS 35920-39-9Formula C12H16N6O4Molar mass 308.30 g/molEC 636-060-5
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 26 suppliers listed
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Neca chemical structure, C12H16N6O4, CAS 35920-39-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
35920-39-9
Formula
C12H16N6O4
Molar mass
308.30 g/mol
EC number
636-060-5
HS code
293499
Category
Nucleosides and nucleotides

What is Neca?

Plain description, key identifiers and synonyms

N-ethyl-5'-carboxamidoadenosine is a derivative of adenosine in which the 5'-hydroxymethyl group is replaced by an N-ethylcarboxamido group. It has a role as an antineoplastic agent, a vasodilator agent, an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor, an adenosine A1 receptor agonist and an adenosine A2A receptor agonist. It is a member of adenosines and a monocarboxylic acid amide. It is functionally related to an adenosine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
CAS number
35920-39-9 CAS number cross-checkedOther or deprecated CAS: 100111-00-0, 78647-50-4
EC numbers
636-060-5, 636-863-0
Molecular formula
C12H16N6O4
UNII
3WC8SJ5ZLJ
MDL number
MFCD00069195
InChIKey
JADDQZYHOWSFJD-FLNNQWSLSA-N
InChI
InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
Canonical SMILES
CCNC(=O)C1OC(n2cnc3c(N)ncnc32)C(O)C1O
Isomeric SMILES
CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O

Synonyms

  • N-ethyl-5'-carboxamidoadenosine
  • (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
  • 5'-N-Ethylcarboxamidoadenosine
  • 5'-Ethylcarboxamido Adenosine
  • Adenosine-5'-(N-ethylcarboxamide)
  • N-Ethylcarboxamidoadenosine
  • [3H]NECA
  • 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide
  • (2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide
  • Adenosine-5-(N-ethylcarboxamide)
  • (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
  • NEC
  • 5 inverted exclamation mark -EthylcarboxamidoAdenosine
  • Adenosine, N6-Ethyl-carboxamido
  • 2ydv
  • 5'-N(Sup 6)-Ethylcarboxamidoadenosine
  • [3H]adenosine-5'-(N-ethylcarboxamide)
  • 1qy5
  • 5'-ethylcarboxamidoadenosine
  • 5-N-Ethylcarboxamidoadenosine
  • 5-N-Ethylcarboxamido-Adenosine
  • 5'-Ethylcarboxamido-D-adenosine
  • REGID_for_CID_448222
  • 5'-(N-Ethylcarboxamido)adenosine, powder
  • beta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl
Show all 30 synonyms
  • 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethyl-b-D-ribofuranuronamide
  • beta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-
  • (2S,3S,4R)-5-(6-Aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-oxolane-2-carboxamide
  • (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide
  • (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name)

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
308.30 g/molcalc.
Exact mass
308.1233 Dacalc.
LogP (octanol/water)
-1.84calc.
Topological polar surface area
148.4 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
3calc.
Heavy atoms
22calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.5calc.
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, c1ncc2ncn(C3CCCO3)c2n1

c1ncc2ncn(C3CCCO3)c2n1

3 rings, 14 atoms.

3,221 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H300Fatal if swallowed.
Precautionary statements (7)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Neca suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 26 suppliers
26 of 26 offers
  • 001Chemical
    China, HangzhouUnclaimed profile
    NecaGrade, purity and minimum order on request
    Price on request
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  • Aaron Chemicals LLC.
    China, NanjingUnclaimed profile
    NecaGrade, purity and minimum order on request
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  • Abmole Bioscience Inc.
    United States, HoustonUnclaimed profile
    NecaGrade, purity and minimum order on request
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  • Accela ChemBio Inc.
    United States, San DiegoUnclaimed profile
    NecaGrade, purity and minimum order on request
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  • Acmec Biochemical
    China, ShanghaiUnclaimed profile
    NecaGrade, purity and minimum order on request
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  • AHH Chemical co.,ltd
    China, ChangzhouUnclaimed profile
    NecaGrade, purity and minimum order on request
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  • AiFChem
    United States, SomervilleUnclaimed profile
    NecaGrade, purity and minimum order on request
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  • Ambeed, Inc.
    United States, Buffalo GroveUnclaimed profile
    NecaGrade, purity and minimum order on request
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  • Ambinter
    France, OrleansUnclaimed profile
    NecaGrade, purity and minimum order on request
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  • BLD Pharm
    China, ShanghaiUnclaimed profile
    NecaGrade, purity and minimum order on request
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Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

26 suppliers in 7 countries

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Neca 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

Roles

  • adenosine A1 receptor agonist
  • adenosine A2A receptor agonist
  • adenosine receptor agonist
  • agonist
  • antineoplastic agent
  • cardiovascular drug
  • enzyme inhibitor
  • pharmaceutical
  • vasodilator agent

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 Neca 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 Neca is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Neca, based on the data on this page

What is Neca?

N-ethyl-5'-carboxamidoadenosine is a derivative of adenosine in which the 5'-hydroxymethyl group is replaced by an N-ethylcarboxamido group.

What is the CAS number of Neca?

The CAS registry number of Neca is 35920-39-9. Other or deprecated CAS numbers: 100111-00-0, 78647-50-4.

What is the molecular formula and weight of Neca?

The molecular formula of Neca is C12H16N6O4 and its molar mass is 308.30 g/mol.

What is Neca used for?

Known uses and roles of Neca include adenosine a1 receptor agonist, adenosine a2a receptor agonist, adenosine receptor agonist, agonist, antineoplastic agent and 4 more.

Is Neca hazardous?

Neca carries the GHS signal word "Danger". Main hazards: fatal if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Neca?

Neca 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 Neca?

CompoundList lists 26 suppliers of Neca in China, United States, Canada, France and 3 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Neca?

Suppliers quote Neca 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

Practical guides that help when you source, ship or handle Neca

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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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