UCSF

ZINC13585233

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 17 Yes

Popular Name: Sapropterin Sapropterin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 103130-44-5 , 17528-72-2 , 62989-33-7 , 69056-38-8 , [62989-33-7] , [69056-38-8]

Other Names:

(-)-(6R)-2-Amino-6-((1R,2S)-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4(3H)-pteridinone; (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(1H)-one; (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(3H)-one; (6

(-)-(6R)-2-amino-6-((1R,2S)-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4(3H)-pteridinone; (6R)-L-erythro-tetrahydrobiopterin; 6R-5,6,7,8-tetrahydrobiopterin; 6R-BH4; 6R-L-5,6,7,8-tetrahydrobiopterin; L-erythro-tetrahydrobiopterin; R-THBP; tetrahydrobiopterin

(1R,2S)-1-[(6R)-4-hydroxy-2-imino-5,6,7,8-tetrahydro-1H-pteridin-6-yl]propane-1,2-diol

(6R)-2-Amino-6-((1R,2S)-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4(1H)-pteridinone dihydrochloride; (6R)-Tetrahydrobiopterin hydrochloride; 4(1H)-Pteridinone, 5,6,7,8-tetrahydro-2-amino-6-(1,2-dihydroxypropyl)-, dihydrochloride, (6R-(6R*(1R*,2S*)))-; LS-12

(6R)-2-Amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-4(1H)-pteridinone sulfate; (6R)-5,6,7,8-Tetrahydro-biopterin sulfate; Sapropterin sulfate

(6R)-5,6,7,8-Tetrahydro-L-biopterin

(6R)-5,6,7,8-Tetrahydro-L-biopterin 2HCl

(6R)-5,6,7,8-Tetrahydro-l-biopterin diHCl

(6R)-5,6,7,8-Tetrahydro-L-biopterin; (6R)-5,6,7,8-Tetrahydrobiopterin; (6R)-L-erythro-5,6,7,8-Tetrahydrobiopterin; (6R)-L-erythro-Tetrahydrobiopterin; (6R)-Tetrahydrobiopterin; 6R-BH4; 6R-Tetrahydro-L-biopterin; 6b-5,6,7,8-Tetrahydro-L-biopterin; R-THBP

(6R)-5,6,7,8-Tetrahydro-L-biopterin;(6R)-5,6,7,8-Tetrahydrobiopterin;(6R)-L-erythro-5,6,7,8-Tetrahydrobiopterin;(6R)-L-erythro-Tetrahydrobiopterin;(6R)-Tetrahydrobiopterin;6b-5,6,7,8-Tetrahydro-L-biopterin;6R-BH4;6R-Tetrahydro-L-biopterin;R-THBP;Sapropter

(6R)-5,6,7,8-Tetrahydro-L-biopterin;(6R)-5,6,7,8-Tetrahydrobiopterin;(6R)-L-erythro-5,6,7,8-Tetrahydrobiopterin;(6R)-L-erythro-Tetrahydrobiopterin;(6R)-Tetrahydrobiopterin;6R-BH4;6R-Tetrahydro-L-biopterin;6b-5,6,7,8-Tetrahydro-L-biopterin;R-THBP;Sapropter

(6R)-Tetrahydro-L-biopterin sulfate

(6R)-tetrahydrobiopterin dihydrochloride; (6R)-tetrahydrobiopterin hydrochloride; sapropterin 2HCl; sapropterin dihydrochloride; sapropterin hydrochloride

(R)-2-Amino-6-((1R,2S)-1,2-dihydroxypropyl)-5,6,7,8-tetrahydropteridin-4(3H)-one dihydrochloride

17528-72-2; 2-Amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydoro-4(1H)-pteridinone; 5,6,7,8-Tetrahydrobiopterin; C00272; L-erythro-Tetrahydrobiopterin; Tetrahydrobiopterin

2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-1H-pteridin-4-one

62989-33-7; D08505; Sapropterin (INN)

69056-38-8; Biopten (TN); D01798; Kuvan (TN); Sapropterin dihydrochloride (USAN); Sapropterin hydrochloride (JAN)

6R-BH4

BH4

Biobuden

Biopten

Bipten

CHEBI:64242

Dapropterin dihydrochloride

Kuvan

L-erythro-5,6,7,8-tetrahydrobiopterin

L-erythro-5,6,7,8-tetrahydrobiopterin; L-erythro-tetrahydrobiopterin

L-erythro-tetrahydrobiopterin

MFCD00891665

MFCD12828857

Phenoptin

QB-2798

R-THBP

Sapropterin (INN); Sapropterin Dihydrochloride (FDA

Sapropterin dihydrochloride

Sapropterin Dihydrochloride (FDA

sapropterin; sapropterina; sapropterinum

SUN-0588

SUN-0588 (Shiratori); T-1401 (Biomarin)

T-1401

tetrahydro-L-Biopterin (dihydrochloride)

tetrahydro-L-Biopterin (hydrochloride)

Tetrahydrobiopterin

USAN)

USAN); Sapropterin (INN)

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.15 -4.44 -11.69 7 8 0 136 241.251 2 ↓
Ref Reference (pH 7) -1.15 -5.1 -20.07 7 8 0 136 241.251 2 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links ALKMO_DANRE; ALKMO_HUMAN; ALKMO_MOUSE; ALKMO_RAT; ALKMO_XENTR; DHPR_BOVIN; DHPR_DICDI; DHPR_HUMAN; DHPR_MOUSE; DHPR_PIG; DHPR_RAT; DYR_HUMAN; GCH1_CHICK; GCH1_ECOLI; GCH1_EUGGR; GCH1_HUMAN; GCH1_MOUSE; GCH1_MUCPU; GCH1_NEUCR; GCH1_ONCMY; GCH1_PHYBL; GCH1_ ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NOS1-1-E Nitric-oxide Synthase, Brain (cluster #1 Of 7), Eukaryotic Eukaryotes 1120 0.49 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NOS1_HUMAN P29475 Nitric-oxide Synthase, Brain, Human 1120 0.49 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nitric oxide stimulates guanylate cyclase
Phagosomal maturation (early endosomal stage)

Analogs ( Draw Identity 99% 90% 80% 70% )